1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine

C14H26N4 — CID 113285625

IUPAC1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine
SMILESCCCc1cc(N(C)CCC(N)C(C)C)ncn1
InChIInChI=1S/C14H26N4/c1-5-6-12-9-14(17-10-16-12)18(4)8-7-13(15)11(2)3/h9-11,13H,5-8,15H2,1-4H3
InChIKeyDXHGAPSLLUIZIH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.24
Rot. Bonds7

About 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine (PubChem CID 113285625) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine
PubChem CID113285625
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine
SMILESCCCc1cc(N(C)CCC(N)C(C)C)ncn1
InChIInChI=1S/C14H26N4/c1-5-6-12-9-14(17-10-16-12)18(4)8-7-13(15)11(2)3/h9-11,13H,5-8,15H2,1-4H3
InChIKeyDXHGAPSLLUIZIH-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile
CID 61239560
4-[methyl-(6-propylpyrimidin-4-yl)amino]butanoic acid
CID 61241091
N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
CID 63388681
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
5-[(6-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107203397
4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136979021
1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
CID 139013756
3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 61234578
1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine
CID 106553589
4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 115658287

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine (CID 113285625) is 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine is CCCc1cc(N(C)CCC(N)C(C)C)ncn1.
What is the InChIKey of 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine?
The InChIKey is DXHGAPSLLUIZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-6-12-9-14(17-10-16-12)18(4)8-7-13(15)11(2)3/h9-11,13H,5-8,15H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine is sourced from PubChem (CID 113285625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).