(1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine

C19H28N4 — CID 99999571

IUPAC(1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine
SMILESCC(C)c1nccc(CN(C)[C@@H](CN(C)C)c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-15(2)19-20-12-11-17(21-19)13-23(5)18(14-22(3)4)16-9-7-6-8-10-16/h6-12,15,18H,13-14H2,1-5H3/t18-/m0/s1
InChIKeyPLYWXRASSRJDDB-SFHVURJKSA-N
MW312.46 g/mol
LogP3.33
Rot. Bonds7

About (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine

(1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 99999571) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID99999571
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name(1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine
SMILESCC(C)c1nccc(CN(C)[C@@H](CN(C)C)c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-15(2)19-20-12-11-17(21-19)13-23(5)18(14-22(3)4)16-9-7-6-8-10-16/h6-12,15,18H,13-14H2,1-5H3/t18-/m0/s1
InChIKeyPLYWXRASSRJDDB-SFHVURJKSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine 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 (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine (CID 99999571) is (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine is CC(C)c1nccc(CN(C)[C@@H](CN(C)C)c2ccccc2)n1.
What is the InChIKey of (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is PLYWXRASSRJDDB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N4/c1-15(2)19-20-12-11-17(21-19)13-23(5)18(14-22(3)4)16-9-7-6-8-10-16/h6-12,15,18H,13-14H2,1-5H3/t18-/m0/s1.
What are the key properties of (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
(1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N',N'-trimethyl-1-phenyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 99999571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).