N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C13H21FN4 — CID 106127963

IUPACN-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCCC(N)C2)c1F
InChIInChI=1S/C13H21FN4/c1-2-11-12(14)13(18-8-17-11)16-7-9-4-3-5-10(15)6-9/h8-10H,2-7,15H2,1H3,(H,16,17,18)
InChIKeyIOVPJKPYENRATF-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.11
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 106127963) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID106127963
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCCC(N)C2)c1F
InChIInChI=1S/C13H21FN4/c1-2-11-12(14)13(18-8-17-11)16-7-9-4-3-5-10(15)6-9/h8-10H,2-7,15H2,1H3,(H,16,17,18)
InChIKeyIOVPJKPYENRATF-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871
6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133419771
N-[(3-aminocyclohexyl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 106128205
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479
3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138359
(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124881194
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419706
N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419833
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 113413503
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 133419371
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 106127963) is N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCC2CCCC(N)C2)c1F.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is IOVPJKPYENRATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-2-11-12(14)13(18-8-17-11)16-7-9-4-3-5-10(15)6-9/h8-10H,2-7,15H2,1H3,(H,16,17,18).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 106127963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).