N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine

C18H26N4 — CID 72928038

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(N(C)Cc2cccc(CN(C)C)c2)n1
InChIInChI=1S/C18H26N4/c1-13-14(2)19-15(3)20-18(13)22(6)12-17-9-7-8-16(10-17)11-21(4)5/h7-10H,11-12H2,1-6H3
InChIKeyLDRYCCSCLIYIEM-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine (PubChem CID 72928038) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
PubChem CID72928038
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(N(C)Cc2cccc(CN(C)C)c2)n1
InChIInChI=1S/C18H26N4/c1-13-14(2)19-15(3)20-18(13)22(6)12-17-9-7-8-16(10-17)11-21(4)5/h7-10H,11-12H2,1-6H3
InChIKeyLDRYCCSCLIYIEM-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine (CID 72928038) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine is Cc1nc(C)c(C)c(N(C)Cc2cccc(CN(C)C)c2)n1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
The InChIKey is LDRYCCSCLIYIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13-14(2)19-15(3)20-18(13)22(6)12-17-9-7-8-16(10-17)11-21(4)5/h7-10H,11-12H2,1-6H3.
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine has a molecular weight of 298.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine is sourced from PubChem (CID 72928038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).