6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine

C14H17FN4 — CID 115265801

IUPAC6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H17FN4/c1-10(2)19-14-7-13(17-9-18-14)16-8-11-3-5-12(15)6-4-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyMQBDRHAANIESSJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.05
Rot. Bonds5

About 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 115265801) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID115265801
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H17FN4/c1-10(2)19-14-7-13(17-9-18-14)16-8-11-3-5-12(15)6-4-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyMQBDRHAANIESSJ-UHFFFAOYSA-N
XLogP3.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859762
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
N-[2-(4-fluorophenyl)ethyl]-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338676
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859776
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512
4-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192877
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
2-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112859839
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 115265801) is 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)Nc1cc(NCc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MQBDRHAANIESSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10(2)19-14-7-13(17-9-18-14)16-8-11-3-5-12(15)6-4-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).