5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine

C19H28N6 — CID 133295176

IUPAC5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NC(C)CN2CCN(C)CC2)c1C
InChIInChI=1S/C19H28N6/c1-14(13-25-11-9-24(4)10-12-25)21-18-15(2)16(3)22-19(23-18)17-7-5-6-8-20-17/h5-8,14H,9-13H2,1-4H3,(H,21,22,23)
InChIKeyWXWZFOWRYMJCGQ-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.20
Rot. Bonds5

About 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine

5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 133295176) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID133295176
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NC(C)CN2CCN(C)CC2)c1C
InChIInChI=1S/C19H28N6/c1-14(13-25-11-9-24(4)10-12-25)21-18-15(2)16(3)22-19(23-18)17-7-5-6-8-20-17/h5-8,14H,9-13H2,1-4H3,(H,21,22,23)
InChIKeyWXWZFOWRYMJCGQ-UHFFFAOYSA-N
XLogP2.20
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine (CID 133295176) is 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NC(C)CN2CCN(C)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is WXWZFOWRYMJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-14(13-25-11-9-24(4)10-12-25)21-18-15(2)16(3)22-19(23-18)17-7-5-6-8-20-17/h5-8,14H,9-13H2,1-4H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine?
5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 340.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133295176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).