4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

C19H23N7 — CID 134383458

IUPAC4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-n1ccnc1
InChIInChI=1S/C19H23N7/c1-15-13-21-19(23-18(15)26-8-7-20-14-26)22-16-3-5-17(6-4-16)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,21,22,23)
InChIKeyJZTHBMMVSWPYGJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.47
Rot. Bonds4

About 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 134383458) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
PubChem CID134383458
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-n1ccnc1
InChIInChI=1S/C19H23N7/c1-15-13-21-19(23-18(15)26-8-7-20-14-26)22-16-3-5-17(6-4-16)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,21,22,23)
InChIKeyJZTHBMMVSWPYGJ-UHFFFAOYSA-N
XLogP2.47
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (CID 134383458) is 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The InChIKey is JZTHBMMVSWPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-15-13-21-19(23-18(15)26-8-7-20-14-26)22-16-3-5-17(6-4-16)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,21,22,23).
What are the key properties of 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 134383458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).