N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine

C15H26N4O — CID 66332429

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCCN(c1cc(OC(C)C)ncn1)C1CCCC1CN
InChIInChI=1S/C15H26N4O/c1-4-19(13-7-5-6-12(13)9-16)14-8-15(18-10-17-14)20-11(2)3/h8,10-13H,4-7,9,16H2,1-3H3
InChIKeyKMUPEFXIFPFLRF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66332429) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66332429
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCCN(c1cc(OC(C)C)ncn1)C1CCCC1CN
InChIInChI=1S/C15H26N4O/c1-4-19(13-7-5-6-12(13)9-16)14-8-15(18-10-17-14)20-11(2)3/h8,10-13H,4-7,9,16H2,1-3H3
InChIKeyKMUPEFXIFPFLRF-UHFFFAOYSA-N
XLogP2.22
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine
CID 66333196
N'-cyclopentyl-N'-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66332218
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine
CID 106973266
N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333463
2-N-methyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)cyclohexane-1,2-diamine
CID 102639480
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 114045714
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66333560
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
CID 79176166
N-[2-(aminomethyl)cyclopentyl]-5-tert-butyl-N-ethylpyridin-2-amine
CID 107875127
N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619278
[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine
CID 66333410
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770116

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine (CID 66332429) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine is CCN(c1cc(OC(C)C)ncn1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is KMUPEFXIFPFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19(13-7-5-6-12(13)9-16)14-8-15(18-10-17-14)20-11(2)3/h8,10-13H,4-7,9,16H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66332429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).