6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine

C16H18FN3 — CID 63354267

IUPAC6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(Cc2ccccc2F)n1
InChIInChI=1S/C16H18FN3/c1-2-18-15-10-14(11-7-8-11)19-16(20-15)9-12-5-3-4-6-13(12)17/h3-6,10-11H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyPWGDPFKNAFUWJI-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.52
Rot. Bonds5

About 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 63354267) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID63354267
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(Cc2ccccc2F)n1
InChIInChI=1S/C16H18FN3/c1-2-18-15-10-14(11-7-8-11)19-16(20-15)9-12-5-3-4-6-13(12)17/h3-6,10-11H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyPWGDPFKNAFUWJI-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051940
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
6-cyclopropyl-N-ethyl-2-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 63354175
6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 63354262
6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 113390479
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 114488701
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 55188916
(2-benzyl-6-cyclopropylpyrimidin-4-yl)hydrazine
CID 63354322
2-cyclopropyl-N-ethyl-8-fluoroquinolin-4-amine
CID 55190878
6-cyclopropyl-N-ethyl-2-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 65389352
6-cyclopropyl-2-N,2-N,4-N-triethylpyrimidine-2,4-diamine
CID 55188732

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine (CID 63354267) is 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine is CCNc1cc(C2CC2)nc(Cc2ccccc2F)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is PWGDPFKNAFUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-2-18-15-10-14(11-7-8-11)19-16(20-15)9-12-5-3-4-6-13(12)17/h3-6,10-11H,2,7-9H2,1H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 271.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63354267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).