1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine

C12H22N4 — CID 107159268

IUPAC1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
SMILESCCc1cc(NCC(N)CC(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-4-11-6-12(16-8-15-11)14-7-10(13)5-9(2)3/h6,8-10H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyJTGPSMZVUJCYOZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.82
Rot. Bonds6

About 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine

1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine (PubChem CID 107159268) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
PubChem CID107159268
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
SMILESCCc1cc(NCC(N)CC(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-4-11-6-12(16-8-15-11)14-7-10(13)5-9(2)3/h6,8-10H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyJTGPSMZVUJCYOZ-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
6-ethyl-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102699039
N-(1-chloro-4-methylpentan-2-yl)-6-ethylpyrimidin-4-amine
CID 65029445
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410782
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
CID 130875143
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine (CID 107159268) is 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine is CCc1cc(NCC(N)CC(C)C)ncn1.
What is the InChIKey of 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The InChIKey is JTGPSMZVUJCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-11-6-12(16-8-15-11)14-7-10(13)5-9(2)3/h6,8-10H,4-5,7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine?
1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 107159268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).