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

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Related Compounds

(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
CID 95826489
2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 95826419
2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
CID 95826422
[4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol
CID 95826547
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493
1-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)piperidin-4-ol
CID 127244719
7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 119067930
7-fluoro-3-[[[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 126440791
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510

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).