4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

C19H28N6 — CID 95509786

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(NC[C@@H](C)N3CCN(C)CC3)n2)c(C)n1
InChIInChI=1S/C19H28N6/c1-14-5-6-17(16(3)22-14)18-7-8-20-19(23-18)21-13-15(2)25-11-9-24(4)10-12-25/h5-8,15H,9-13H2,1-4H3,(H,20,21,23)/t15-/m1/s1
InChIKeyXNNIAQWGYMYSCT-OAHLLOKOSA-N
MW340.48 g/mol
LogP2.20
Rot. Bonds5

About 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (PubChem CID 95509786) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
PubChem CID95509786
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(NC[C@@H](C)N3CCN(C)CC3)n2)c(C)n1
InChIInChI=1S/C19H28N6/c1-14-5-6-17(16(3)22-14)18-7-8-20-19(23-18)21-13-15(2)25-11-9-24(4)10-12-25/h5-8,15H,9-13H2,1-4H3,(H,20,21,23)/t15-/m1/s1
InChIKeyXNNIAQWGYMYSCT-OAHLLOKOSA-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 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (CID 95509786) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is Cc1ccc(-c2ccnc(NC[C@@H](C)N3CCN(C)CC3)n2)c(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is XNNIAQWGYMYSCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6/c1-14-5-6-17(16(3)22-14)18-7-8-20-19(23-18)21-13-15(2)25-11-9-24(4)10-12-25/h5-8,15H,9-13H2,1-4H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-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 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 95509786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).