N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine

C19H29N7O — CID 56899412

IUPACN,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
SMILESCN(C)Cc1cc2n(n1)CCCN(Cc1cnc(N3CCOCC3)nc1)C2
InChIInChI=1S/C19H29N7O/c1-23(2)14-17-10-18-15-24(4-3-5-26(18)22-17)13-16-11-20-19(21-12-16)25-6-8-27-9-7-25/h10-12H,3-9,13-15H2,1-2H3
InChIKeyJRLMQVOBDJERDG-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.98
Rot. Bonds5

About N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine

N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine (PubChem CID 56899412) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
PubChem CID56899412
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
SMILESCN(C)Cc1cc2n(n1)CCCN(Cc1cnc(N3CCOCC3)nc1)C2
InChIInChI=1S/C19H29N7O/c1-23(2)14-17-10-18-15-24(4-3-5-26(18)22-17)13-16-11-20-19(21-12-16)25-6-8-27-9-7-25/h10-12H,3-9,13-15H2,1-2H3
InChIKeyJRLMQVOBDJERDG-UHFFFAOYSA-N
XLogP0.98
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine with MolForge

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Related Compounds

4-[7-[(1-Methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]morpholine
CID 97516662
2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913382
N-methyl-4-(1-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 31074760
2-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-5-(5-fluoro-2-pyrimidinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56898062
N'-({5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-N,N-dimethylurea
CID 70754010
4-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl}morpholine
CID 50951052
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 50958743
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 53556862
2-{4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}-4-methyl-6-(trifluoromethyl)pyrimidine
CID 56897246
4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
CID 95120956
4-[2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
CID 95120957
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 95276282

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine (CID 56899412) is N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine is CN(C)Cc1cc2n(n1)CCCN(Cc1cnc(N3CCOCC3)nc1)C2.
What is the InChIKey of N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The InChIKey is JRLMQVOBDJERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-23(2)14-17-10-18-15-24(4-3-5-26(18)22-17)13-16-11-20-19(21-12-16)25-6-8-27-9-7-25/h10-12H,3-9,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine has a molecular weight of 371.49 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine is sourced from PubChem (CID 56899412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).