[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine

C10H17N5 — CID 62749499

IUPAC[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
SMILESCN1CCN(c2nccc(CN)n2)CC1
InChIInChI=1S/C10H17N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-8,11H2,1H3
InChIKeyBIQCBPGYBSLAOL-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.31
Rot. Bonds2

About [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine

[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 62749499) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID62749499
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
SMILESCN1CCN(c2nccc(CN)n2)CC1
InChIInChI=1S/C10H17N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-8,11H2,1H3
InChIKeyBIQCBPGYBSLAOL-UHFFFAOYSA-N
XLogP-0.31
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)pyrimidine-2-carboximidamide
CID 10398061
2-Amino-4-piperidino-6-methylpyrimidine
CID 748221
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817569
Ethenamine, N,N-dimethyl-2-(4-pyrimidinyl)-
CID 6433770

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine (CID 62749499) is [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine is CN1CCN(c2nccc(CN)n2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is BIQCBPGYBSLAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-8,11H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 207.28 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 62749499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).