6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine

C16H20FN5 — CID 91784508

IUPAC6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc(C3CC(N)C3)nc(N)n2)ccc1F
InChIInChI=1S/C16H20FN5/c1-9-4-10(2-3-13(9)17)8-20-15-7-14(21-16(19)22-15)11-5-12(18)6-11/h2-4,7,11-12H,5-6,8,18H2,1H3,(H3,19,20,21,22)
InChIKeyVYQVOMQCCOPAMM-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.32
Rot. Bonds4

About 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 91784508) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID91784508
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc(C3CC(N)C3)nc(N)n2)ccc1F
InChIInChI=1S/C16H20FN5/c1-9-4-10(2-3-13(9)17)8-20-15-7-14(21-16(19)22-15)11-5-12(18)6-11/h2-4,7,11-12H,5-6,8,18H2,1H3,(H3,19,20,21,22)
InChIKeyVYQVOMQCCOPAMM-UHFFFAOYSA-N
XLogP2.32
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 91784508) is 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cc(CNc2cc(C3CC(N)C3)nc(N)n2)ccc1F.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VYQVOMQCCOPAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-9-4-10(2-3-13(9)17)8-20-15-7-14(21-16(19)22-15)11-5-12(18)6-11/h2-4,7,11-12H,5-6,8,18H2,1H3,(H3,19,20,21,22).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 301.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91784508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).