2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile

C16H18N6O — CID 169396460

IUPAC2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H18N6O/c17-9-13-14(20-16(19)21-15(13)18)12-3-1-11(2-4-12)10-22-5-7-23-8-6-22/h1-4H,5-8,10H2,(H4,18,19,20,21)
InChIKeyOWMQQDYKIJHMPJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.01
Rot. Bonds3

About 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169396460) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
PubChem CID169396460
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H18N6O/c17-9-13-14(20-16(19)21-15(13)18)12-3-1-11(2-4-12)10-22-5-7-23-8-6-22/h1-4H,5-8,10H2,(H4,18,19,20,21)
InChIKeyOWMQQDYKIJHMPJ-UHFFFAOYSA-N
XLogP1.01
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-6-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396639
2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396407
2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396759
2,4-diamino-6-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396517
2,4-diamino-6-[4-(4-ethylphenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398736
4-amino-6-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 76506743
2,4-diamino-6-[4-(2-chloroethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396266
2,4-diamino-6-[4-[[butyl(methyl)amino]methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396683
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile
CID 18507421
[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378966
2,4-diamino-6-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]pyrimidine-5-carbonitrile
CID 169397798

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile (CID 169396460) is 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is OWMQQDYKIJHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c17-9-13-14(20-16(19)21-15(13)18)12-3-1-11(2-4-12)10-22-5-7-23-8-6-22/h1-4H,5-8,10H2,(H4,18,19,20,21).
What are the key properties of 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).