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

C14H25N5O2 — CID 115354832

IUPAC2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOc1cc(OC)nc(N2CCN(C(C)(C)CN)CC2)n1
InChIInChI=1S/C14H25N5O2/c1-14(2,10-15)19-7-5-18(6-8-19)13-16-11(20-3)9-12(17-13)21-4/h9H,5-8,10,15H2,1-4H3
InChIKeyLLDMHPGZJSVPSX-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.35
Rot. Bonds5

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

2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 115354832) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID115354832
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOc1cc(OC)nc(N2CCN(C(C)(C)CN)CC2)n1
InChIInChI=1S/C14H25N5O2/c1-14(2,10-15)19-7-5-18(6-8-19)13-16-11(20-3)9-12(17-13)21-4/h9H,5-8,10,15H2,1-4H3
InChIKeyLLDMHPGZJSVPSX-UHFFFAOYSA-N
XLogP0.35
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66318068
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63591622
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161464
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63873972
3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 115355389
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 63339957
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]propanenitrile
CID 115354846
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine (CID 115354832) is 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine is COc1cc(OC)nc(N2CCN(C(C)(C)CN)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is LLDMHPGZJSVPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-14(2,10-15)19-7-5-18(6-8-19)13-16-11(20-3)9-12(17-13)21-4/h9H,5-8,10,15H2,1-4H3.
What are the key properties of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 115354832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).