4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine

C14H16F2N4 — CID 80954744

IUPAC4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-2-3-13-19-12(17)7-14(20-13)18-8-9-4-5-10(15)11(16)6-9/h4-7H,2-3,8H2,1H3,(H3,17,18,19,20)
InChIKeySCMWGYUFHBMBHX-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.90
Rot. Bonds5

About 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine

4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80954744) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80954744
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-2-3-13-19-12(17)7-14(20-13)18-8-9-4-5-10(15)11(16)6-9/h4-7H,2-3,8H2,1H3,(H3,17,18,19,20)
InChIKeySCMWGYUFHBMBHX-UHFFFAOYSA-N
XLogP2.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
CID 80939443
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80949951
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80954744) is 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is SCMWGYUFHBMBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-2-3-13-19-12(17)7-14(20-13)18-8-9-4-5-10(15)11(16)6-9/h4-7H,2-3,8H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 278.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).