2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine

C14H13F2N3 — CID 154582588

IUPAC2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2ccnc(C3CC3)n2)c(F)c1
InChIInChI=1S/C14H13F2N3/c15-11-4-3-10(12(16)7-11)8-18-13-5-6-17-14(19-13)9-1-2-9/h3-7,9H,1-2,8H2,(H,17,18,19)
InChIKeyAQZXWQAAXAYBFM-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.24
Rot. Bonds4

About 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine

2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 154582588) has the molecular formula C14H13F2N3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
PubChem CID154582588
Molecular FormulaC14H13F2N3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2ccnc(C3CC3)n2)c(F)c1
InChIInChI=1S/C14H13F2N3/c15-11-4-3-10(12(16)7-11)8-18-13-5-6-17-14(19-13)9-1-2-9/h3-7,9H,1-2,8H2,(H,17,18,19)
InChIKeyAQZXWQAAXAYBFM-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine (CID 154582588) is 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine is Fc1ccc(CNc2ccnc(C3CC3)n2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is AQZXWQAAXAYBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3/c15-11-4-3-10(12(16)7-11)8-18-13-5-6-17-14(19-13)9-1-2-9/h3-7,9H,1-2,8H2,(H,17,18,19).
What are the key properties of 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 154582588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).