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

C14H14F2N4 — CID 80961888

IUPAC2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccc(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C14H14F2N4/c15-10-4-1-8(5-11(10)16)7-18-13-6-12(17)19-14(20-13)9-2-3-9/h1,4-6,9H,2-3,7H2,(H3,17,18,19,20)
InChIKeyIFULOQXDDVCLBT-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.83
Rot. Bonds4

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

2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80961888) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
PubChem CID80961888
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccc(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C14H14F2N4/c15-10-4-1-8(5-11(10)16)7-18-13-6-12(17)19-14(20-13)9-2-3-9/h1,4-6,9H,2-3,7H2,(H3,17,18,19,20)
InChIKeyIFULOQXDDVCLBT-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.83
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]-2-propylpyrimidine-4,6-diamine
CID 80954744
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80968458
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540
4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80959171
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine (CID 80961888) is 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine is Nc1cc(NCc2ccc(F)c(F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IFULOQXDDVCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4/c15-10-4-1-8(5-11(10)16)7-18-13-6-12(17)19-14(20-13)9-2-3-9/h1,4-6,9H,2-3,7H2,(H3,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 276.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80961888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).