N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine

C16H19FN4O — CID 95826543

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)cc([C@H]2COCCN2)n1
InChIInChI=1S/C16H19FN4O/c1-11-20-14(15-10-22-7-6-18-15)8-16(21-11)19-9-12-2-4-13(17)5-3-12/h2-5,8,15,18H,6-7,9-10H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyHFCXMDUQYVPHHI-OAHLLOKOSA-N
MW302.35 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine (PubChem CID 95826543) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
PubChem CID95826543
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)cc([C@H]2COCCN2)n1
InChIInChI=1S/C16H19FN4O/c1-11-20-14(15-10-22-7-6-18-15)8-16(21-11)19-9-12-2-4-13(17)5-3-12/h2-5,8,15,18H,6-7,9-10H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyHFCXMDUQYVPHHI-OAHLLOKOSA-N
XLogP2.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine (CID 95826543) is N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine is Cc1nc(NCc2ccc(F)cc2)cc([C@H]2COCCN2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is HFCXMDUQYVPHHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-20-14(15-10-22-7-6-18-15)8-16(21-11)19-9-12-2-4-13(17)5-3-12/h2-5,8,15,18H,6-7,9-10H2,1H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 302.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95826543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).