4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine

C14H18N6 — CID 141132498

IUPAC4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(-c3ccnc(N)n3)cn2)CC1
InChIInChI=1S/C14H18N6/c1-19-6-8-20(9-7-19)13-3-2-11(10-17-13)12-4-5-16-14(15)18-12/h2-5,10H,6-9H2,1H3,(H2,15,16,18)
InChIKeyMFHOLUPWDCDOAS-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.87
Rot. Bonds2

About 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine

4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 141132498) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID141132498
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(-c3ccnc(N)n3)cn2)CC1
InChIInChI=1S/C14H18N6/c1-19-6-8-20(9-7-19)13-3-2-11(10-17-13)12-4-5-16-14(15)18-12/h2-5,10H,6-9H2,1H3,(H2,15,16,18)
InChIKeyMFHOLUPWDCDOAS-UHFFFAOYSA-N
XLogP0.87
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine (CID 141132498) is 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine is CN1CCN(c2ccc(-c3ccnc(N)n3)cn2)CC1.
What is the InChIKey of 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is MFHOLUPWDCDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-19-6-8-20(9-7-19)13-3-2-11(10-17-13)12-4-5-16-14(15)18-12/h2-5,10H,6-9H2,1H3,(H2,15,16,18).
What are the key properties of 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 141132498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).