N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine

C13H21FN4 — CID 114231633

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC2CCC(CN)CC2)c1F
InChIInChI=1S/C13H21FN4/c1-9-12(14)13(18-8-17-9)16-7-11-4-2-10(6-15)3-5-11/h8,10-11H,2-7,15H2,1H3,(H,16,17,18)
InChIKeySSBPPLSJJJJDJQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.10
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 114231633) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID114231633
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC2CCC(CN)CC2)c1F
InChIInChI=1S/C13H21FN4/c1-9-12(14)13(18-8-17-9)16-7-11-4-2-10(6-15)3-5-11/h8,10-11H,2-7,15H2,1H3,(H,16,17,18)
InChIKeySSBPPLSJJJJDJQ-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine (CID 114231633) is N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NCC2CCC(CN)CC2)c1F.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is SSBPPLSJJJJDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-9-12(14)13(18-8-17-9)16-7-11-4-2-10(6-15)3-5-11/h8,10-11H,2-7,15H2,1H3,(H,16,17,18).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114231633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).