4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C14H17FN4 — CID 80817609

IUPAC4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-3-8-16-14-17-9-7-13(18-14)19(2)12-6-4-5-11(15)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyZWWHKPSRIPNSOX-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.21
Rot. Bonds5

About 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80817609) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80817609
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-3-8-16-14-17-9-7-13(18-14)19(2)12-6-4-5-11(15)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyZWWHKPSRIPNSOX-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
3-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80824345
2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80818099
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794160
5-fluoro-4-N-methyl-4-N-(3-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80818504
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394
4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80852291
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942361
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80817609) is 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(N(C)c2cccc(F)c2)n1.
What is the InChIKey of 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ZWWHKPSRIPNSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-8-16-14-17-9-7-13(18-14)19(2)12-6-4-5-11(15)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).