2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine

C13H23N5O — CID 66318068

IUPAC2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOc1cc(N2CCN(C(C)(C)CN)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-13(2,9-14)18-6-4-17(5-7-18)11-8-12(19-3)16-10-15-11/h8,10H,4-7,9,14H2,1-3H3
InChIKeySAYIKLQXWAMEQR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.34
Rot. Bonds4

About 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine

2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 66318068) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID66318068
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOc1cc(N2CCN(C(C)(C)CN)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-13(2,9-14)18-6-4-17(5-7-18)11-8-12(19-3)16-10-15-11/h8,10H,4-7,9,14H2,1-3H3
InChIKeySAYIKLQXWAMEQR-UHFFFAOYSA-N
XLogP0.34
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63591622
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
CID 146079556
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
4-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-6-methoxypyrimidine
CID 165433836
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
CID 66318979
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
tert-butyl 4-(6-methoxypyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 171997599
4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 146077999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine (CID 66318068) is 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine is COc1cc(N2CCN(C(C)(C)CN)CC2)ncn1.
What is the InChIKey of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is SAYIKLQXWAMEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,9-14)18-6-4-17(5-7-18)11-8-12(19-3)16-10-15-11/h8,10H,4-7,9,14H2,1-3H3.
What are the key properties of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 66318068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).