4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C9H15N5 — CID 25128833

IUPAC4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(N)n2)CC1
InChIInChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)
InChIKeyXEKHYAPKOUIALX-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.19
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25128833) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25128833
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(N)n2)CC1
InChIInChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)
InChIKeyXEKHYAPKOUIALX-UHFFFAOYSA-N
XLogP-0.19
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 141132498
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
CID 59631605
4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 80754256
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 80834207
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451
N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887954
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25128833) is 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2ccnc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is XEKHYAPKOUIALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12).
What are the key properties of 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 193.25 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25128833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).