2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile

C19H23N5O — CID 122150193

IUPAC2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCc2ccc(CN3CCC(O)CC3)cc2)n1
InChIInChI=1S/C19H23N5O/c1-14-10-17(11-20)23-19(22-14)21-12-15-2-4-16(5-3-15)13-24-8-6-18(25)7-9-24/h2-5,10,18,25H,6-9,12-13H2,1H3,(H,21,22,23)
InChIKeyGUHQTMPHAFCHRI-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.23
Rot. Bonds5

About 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile

2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 122150193) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID122150193
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCc2ccc(CN3CCC(O)CC3)cc2)n1
InChIInChI=1S/C19H23N5O/c1-14-10-17(11-20)23-19(22-14)21-12-15-2-4-16(5-3-15)13-24-8-6-18(25)7-9-24/h2-5,10,18,25H,6-9,12-13H2,1H3,(H,21,22,23)
InChIKeyGUHQTMPHAFCHRI-UHFFFAOYSA-N
XLogP2.23
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzoic acid
CID 107542874
6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
CID 136539750
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbonitrile
CID 107543356
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111762074

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile (CID 122150193) is 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCc2ccc(CN3CCC(O)CC3)cc2)n1.
What is the InChIKey of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is GUHQTMPHAFCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-10-17(11-20)23-19(22-14)21-12-15-2-4-16(5-3-15)13-24-8-6-18(25)7-9-24/h2-5,10,18,25H,6-9,12-13H2,1H3,(H,21,22,23).
What are the key properties of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile?
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 122150193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).