N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine

C17H30N4 — CID 80944664

IUPACN-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCCC(CC)CC2)n1
InChIInChI=1S/C17H30N4/c1-4-8-15-19-16(18-6-3)13-17(20-15)21-11-7-9-14(5-2)10-12-21/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyRFQPRNSFDWBELP-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine

N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 80944664) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
PubChem CID80944664
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCCC(CC)CC2)n1
InChIInChI=1S/C17H30N4/c1-4-8-15-19-16(18-6-3)13-17(20-15)21-11-7-9-14(5-2)10-12-21/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyRFQPRNSFDWBELP-UHFFFAOYSA-N
XLogP3.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80940402
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674486
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
CID 80941631
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321
N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564
N-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 107396346
[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 80757736

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine (CID 80944664) is N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(N2CCCC(CC)CC2)n1.
What is the InChIKey of N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is RFQPRNSFDWBELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-8-15-19-16(18-6-3)13-17(20-15)21-11-7-9-14(5-2)10-12-21/h13-14H,4-12H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80944664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).