N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine

C13H22N4 — CID 80834548

IUPACN-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC(C)CC2)ncn1
InChIInChI=1S/C13H22N4/c1-3-14-12-9-13(16-10-15-12)17-7-4-5-11(2)6-8-17/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBWFLECQNVPVTTB-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.53
Rot. Bonds3

About N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine

N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine (PubChem CID 80834548) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
PubChem CID80834548
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC(C)CC2)ncn1
InChIInChI=1S/C13H22N4/c1-3-14-12-9-13(16-10-15-12)17-7-4-5-11(2)6-8-17/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBWFLECQNVPVTTB-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856432
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine (CID 80834548) is N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCCC(C)CC2)ncn1.
What is the InChIKey of N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine?
The InChIKey is BWFLECQNVPVTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-12-9-13(16-10-15-12)17-7-4-5-11(2)6-8-17/h9-11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine?
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80834548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).