3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine

C14H26N4 — CID 106357883

IUPAC3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
SMILESCCc1cc(NC(CCN)C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H26N4/c1-6-11-9-13(17-10(2)16-11)18-12(7-8-15)14(3,4)5/h9,12H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyRTHPXGNFDMXOBM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds5

About 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine

3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine (PubChem CID 106357883) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
PubChem CID106357883
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
SMILESCCc1cc(NC(CCN)C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H26N4/c1-6-11-9-13(17-10(2)16-11)18-12(7-8-15)14(3,4)5/h9,12H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyRTHPXGNFDMXOBM-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
CID 106354467
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
CID 106357683
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284109
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 135201749
2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 113283635
N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 106252837
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 115457082
1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
CID 63198425

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine (CID 106357883) is 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine is CCc1cc(NC(CCN)C(C)(C)C)nc(C)n1.
What is the InChIKey of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
The InChIKey is RTHPXGNFDMXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-11-9-13(17-10(2)16-11)18-12(7-8-15)14(3,4)5/h9,12H,6-8,15H2,1-5H3,(H,16,17,18).
What are the key properties of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine?
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 106357883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).