4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine

C19H29N7O — CID 133447844

IUPAC4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
SMILESCC1CN(CC2CCN(c3ncnc(-n4cccn4)c3N)CC2)CC(C)O1
InChIInChI=1S/C19H29N7O/c1-14-10-24(11-15(2)27-14)12-16-4-8-25(9-5-16)18-17(20)19(22-13-21-18)26-7-3-6-23-26/h3,6-7,13-16H,4-5,8-12,20H2,1-2H3
InChIKeyCCVNBOMNODPUNF-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.57
Rot. Bonds4

About 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine

4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine (PubChem CID 133447844) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
PubChem CID133447844
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
SMILESCC1CN(CC2CCN(c3ncnc(-n4cccn4)c3N)CC2)CC(C)O1
InChIInChI=1S/C19H29N7O/c1-14-10-24(11-15(2)27-14)12-16-4-8-25(9-5-16)18-17(20)19(22-13-21-18)26-7-3-6-23-26/h3,6-7,13-16H,4-5,8-12,20H2,1-2H3
InChIKeyCCVNBOMNODPUNF-UHFFFAOYSA-N
XLogP1.57
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine with MolForge

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798
[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133366202
4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133480564
4-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 133469851
4-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 97120477
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
CID 156796662
4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365860
[4-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133498946
4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133454574
(2S,6R)-2,6-dimethyl-4-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]methyl]morpholine
CID 156504066
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 124515157

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The IUPAC name of 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine (CID 133447844) is 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine is CC1CN(CC2CCN(c3ncnc(-n4cccn4)c3N)CC2)CC(C)O1.
What is the InChIKey of 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The InChIKey is CCVNBOMNODPUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-10-24(11-15(2)27-14)12-16-4-8-25(9-5-16)18-17(20)19(22-13-21-18)26-7-3-6-23-26/h3,6-7,13-16H,4-5,8-12,20H2,1-2H3.
What are the key properties of 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine has a molecular weight of 371.49 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine is sourced from PubChem (CID 133447844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).