(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine

C17H22N4O — CID 136905471

IUPAC(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc2c1OCC[C@H]2NC[C@@H]1CNc2ccnn2C1
InChIInChI=1S/C17H22N4O/c1-12-3-2-4-14-15(6-8-22-17(12)14)18-9-13-10-19-16-5-7-20-21(16)11-13/h2-5,7,13,15,18-19H,6,8-11H2,1H3/t13-,15-/m1/s1
InChIKeyPHMIAHFXGPHADB-UKRRQHHQSA-N
MW298.39 g/mol
LogP2.35
Rot. Bonds3

About (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine

(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 136905471) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID136905471
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc2c1OCC[C@H]2NC[C@@H]1CNc2ccnn2C1
InChIInChI=1S/C17H22N4O/c1-12-3-2-4-14-15(6-8-22-17(12)14)18-9-13-10-19-16-5-7-20-21(16)11-13/h2-5,7,13,15,18-19H,6,8-11H2,1H3/t13-,15-/m1/s1
InChIKeyPHMIAHFXGPHADB-UKRRQHHQSA-N
XLogP2.35
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

(4R)-8-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 136877406
(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136817521
(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905513
N-(cyclopentylmethyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43775582
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136727602
(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718070
(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 136737906
(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 136718049
1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine
CID 136905648
(3S)-1-benzyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
(4S)-1-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905220

Frequently Asked Questions

What is the IUPAC name of (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine (CID 136905471) is (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1cccc2c1OCC[C@H]2NC[C@@H]1CNc2ccnn2C1.
What is the InChIKey of (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PHMIAHFXGPHADB-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-3-2-4-14-15(6-8-22-17(12)14)18-9-13-10-19-16-5-7-20-21(16)11-13/h2-5,7,13,15,18-19H,6,8-11H2,1H3/t13-,15-/m1/s1.
What are the key properties of (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 136905471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).