4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine

C23H28N4O2 — CID 146236231

IUPAC4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(C(C)C)c2N)cc1
InChIInChI=1S/C23H28N4O2/c1-16(2)22-21(24)23(26-15-25-22)27(13-17-5-9-19(28-3)10-6-17)14-18-7-11-20(29-4)12-8-18/h5-12,15-16H,13-14,24H2,1-4H3
InChIKeyNOBAOXKRQQGTPB-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.41
Rot. Bonds8

About 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine

4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 146236231) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
PubChem CID146236231
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(C(C)C)c2N)cc1
InChIInChI=1S/C23H28N4O2/c1-16(2)22-21(24)23(26-15-25-22)27(13-17-5-9-19(28-3)10-6-17)14-18-7-11-20(29-4)12-8-18/h5-12,15-16H,13-14,24H2,1-4H3
InChIKeyNOBAOXKRQQGTPB-UHFFFAOYSA-N
XLogP4.41
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine
CID 158014813
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136343
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine
CID 71207858
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 169171407
3-[[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141414
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
N,N-bis[(4-methoxyphenyl)methyl]-3-prop-1-en-2-ylpyrazin-2-amine
CID 175757168

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine (CID 146236231) is 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(C(C)C)c2N)cc1.
What is the InChIKey of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is NOBAOXKRQQGTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)22-21(24)23(26-15-25-22)27(13-17-5-9-19(28-3)10-6-17)14-18-7-11-20(29-4)12-8-18/h5-12,15-16H,13-14,24H2,1-4H3.
What are the key properties of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine?
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 392.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 146236231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).