6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine

C19H22ClN5 — CID 133351114

IUPAC6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2cccc(Cn3ccnc3C)c2)n1
InChIInChI=1S/C19H22ClN5/c1-4-17-23-18(20)13(2)19(24-17)22-11-15-6-5-7-16(10-15)12-25-9-8-21-14(25)3/h5-10H,4,11-12H2,1-3H3,(H,22,23,24)
InChIKeyWNUSGKHSHYKYHB-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.17
Rot. Bonds6

About 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine (PubChem CID 133351114) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
PubChem CID133351114
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2cccc(Cn3ccnc3C)c2)n1
InChIInChI=1S/C19H22ClN5/c1-4-17-23-18(20)13(2)19(24-17)22-11-15-6-5-7-16(10-15)12-25-9-8-21-14(25)3/h5-10H,4,11-12H2,1-3H3,(H,22,23,24)
InChIKeyWNUSGKHSHYKYHB-UHFFFAOYSA-N
XLogP4.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine (CID 133351114) is 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCc2cccc(Cn3ccnc3C)c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine?
The InChIKey is WNUSGKHSHYKYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-4-17-23-18(20)13(2)19(24-17)22-11-15-6-5-7-16(10-15)12-25-9-8-21-14(25)3/h5-10H,4,11-12H2,1-3H3,(H,22,23,24).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine has a molecular weight of 355.87 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133351114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).