4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C20H23N5 — CID 112890689

IUPAC4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N(C)CCc2ccncc2)n1)c1ccccc1
InChIInChI=1S/C20H23N5/c1-16(18-6-4-3-5-7-18)23-20-22-14-10-19(24-20)25(2)15-11-17-8-12-21-13-9-17/h3-10,12-14,16H,11,15H2,1-2H3,(H,22,23,24)
InChIKeyUDVOBMMGRGUOFF-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.72
Rot. Bonds7

About 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112890689) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112890689
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N(C)CCc2ccncc2)n1)c1ccccc1
InChIInChI=1S/C20H23N5/c1-16(18-6-4-3-5-7-18)23-20-22-14-10-19(24-20)25(2)15-11-17-8-12-21-13-9-17/h3-10,12-14,16H,11,15H2,1-2H3,(H,22,23,24)
InChIKeyUDVOBMMGRGUOFF-UHFFFAOYSA-N
XLogP3.72
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887147
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
2-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889297
2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895691
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018
2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895678
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112895671
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112890689) is 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CC(Nc1nccc(N(C)CCc2ccncc2)n1)c1ccccc1.
What is the InChIKey of 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is UDVOBMMGRGUOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-16(18-6-4-3-5-7-18)23-20-22-14-10-19(24-20)25(2)15-11-17-8-12-21-13-9-17/h3-10,12-14,16H,11,15H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).