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

C16H17FN6O — CID 169396759

IUPAC2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(F)cc1CN1CCOCC1
InChIInChI=1S/C16H17FN6O/c17-11-1-2-12(10(7-11)9-23-3-5-24-6-4-23)14-13(8-18)15(19)22-16(20)21-14/h1-2,7H,3-6,9H2,(H4,19,20,21,22)
InChIKeyBCKGENDDOOAVLV-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.15
Rot. Bonds3

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

2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169396759) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
PubChem CID169396759
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(F)cc1CN1CCOCC1
InChIInChI=1S/C16H17FN6O/c17-11-1-2-12(10(7-11)9-23-3-5-24-6-4-23)14-13(8-18)15(19)22-16(20)21-14/h1-2,7H,3-6,9H2,(H4,19,20,21,22)
InChIKeyBCKGENDDOOAVLV-UHFFFAOYSA-N
XLogP1.15
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396460
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
2,4-diamino-6-[2-(butan-2-yloxymethyl)-4-fluorophenyl]pyrimidine-5-carbonitrile
CID 169396782
2,4-diamino-6-(6-fluoro-1,3-benzodioxol-5-yl)pyrimidine-5-carbonitrile
CID 169396804
2,4-diamino-6-[3-(2,4-difluorophenyl)phenyl]pyrimidine-5-carbonitrile
CID 169396904
2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169395987
4-[(5-fluoro-2-iodophenyl)methyl]morpholine
CID 154827579
2,4-diamino-6-[4-[(2,5-difluorophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169396479
2,4-diamino-6-(3-bromo-2,4-difluorophenyl)pyrimidine-5-carbonitrile
CID 169397709
2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one
CID 168551316
2,4-diamino-6-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396517
2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile
CID 169397259

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile (CID 169396759) is 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccc(F)cc1CN1CCOCC1.
What is the InChIKey of 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is BCKGENDDOOAVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c17-11-1-2-12(10(7-11)9-23-3-5-24-6-4-23)14-13(8-18)15(19)22-16(20)21-14/h1-2,7H,3-6,9H2,(H4,19,20,21,22).
What are the key properties of 2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 328.35 g/mol, XLogP of 1.15, 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-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).