2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine

C16H19FN4 — CID 80958842

IUPAC2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
SMILESCC(Cc1ccc(F)cc1)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C16H19FN4/c1-10(8-11-2-6-13(17)7-3-11)19-15-9-14(18)20-16(21-15)12-4-5-12/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H3,18,19,20,21)
InChIKeyMDYAHJSHXBURDW-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.12
Rot. Bonds5

About 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine

2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine (PubChem CID 80958842) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
PubChem CID80958842
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
SMILESCC(Cc1ccc(F)cc1)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C16H19FN4/c1-10(8-11-2-6-13(17)7-3-11)19-15-9-14(18)20-16(21-15)12-4-5-12/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H3,18,19,20,21)
InChIKeyMDYAHJSHXBURDW-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine (CID 80958842) is 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine is CC(Cc1ccc(F)cc1)Nc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine?
The InChIKey is MDYAHJSHXBURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-10(8-11-2-6-13(17)7-3-11)19-15-9-14(18)20-16(21-15)12-4-5-12/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H3,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine has a molecular weight of 286.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80958842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).