2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine

C12H24N6 — CID 154456130

IUPAC2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine
SMILESCN1CCN(CCCC2(N)N=CC(N)=CN2)CC1
InChIInChI=1S/C12H24N6/c1-17-5-7-18(8-6-17)4-2-3-12(14)15-9-11(13)10-16-12/h9-10,15H,2-8,13-14H2,1H3
InChIKeyRWSIGLMVLPRNRC-UHFFFAOYSA-N
MW252.37 g/mol
LogP-0.90
Rot. Bonds4

About 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine

2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine (PubChem CID 154456130) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine
PubChem CID154456130
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine
SMILESCN1CCN(CCCC2(N)N=CC(N)=CN2)CC1
InChIInChI=1S/C12H24N6/c1-17-5-7-18(8-6-17)4-2-3-12(14)15-9-11(13)10-16-12/h9-10,15H,2-8,13-14H2,1H3
InChIKeyRWSIGLMVLPRNRC-UHFFFAOYSA-N
XLogP-0.90
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-1,2-dihydropyrimidin-5-amine
CID 117813680
5-(4-Ethylpiperazin-1-yl)-1,2-dihydropyrimidin-2-amine
CID 122675167
2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 134406723
ethane;(Z)-2-(2-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 144106102
(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
CID 145468380
(Z,Z)-N-[(2,6-dimethylpiperazin-1-yl)methyl]-N'-methylideneprop-2-ene-1,3-diimine
CID 145522237
3-Methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 149081592
2-(1-methylpiperidin-2-yl)-1H-pyrimidin-2-amine
CID 151210795
2-N,2-dipropyl-1H-pyrimidine-2,5-diamine
CID 153677623
2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine
CID 154095966
2-methyl-2-N-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine
CID 154120127
2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine
CID 154164798

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine (CID 154456130) is 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine is CN1CCN(CCCC2(N)N=CC(N)=CN2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine?
The InChIKey is RWSIGLMVLPRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-17-5-7-18(8-6-17)4-2-3-12(14)15-9-11(13)10-16-12/h9-10,15H,2-8,13-14H2,1H3.
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine?
2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine has a molecular weight of 252.37 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,5-diamine is sourced from PubChem (CID 154456130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).