4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C16H22N4O — CID 80778639

IUPAC4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)Cc2ccccc2OC)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-16-18-11-9-15(19-16)20(2)12-13-7-5-6-8-14(13)21-3/h5-9,11H,4,10,12H2,1-3H3,(H,17,18,19)
InChIKeyDPWJDNPPLDKZBU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds7

About 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80778639) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80778639
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)Cc2ccccc2OC)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-16-18-11-9-15(19-16)20(2)12-13-7-5-6-8-14(13)21-3/h5-9,11H,4,10,12H2,1-3H3,(H,17,18,19)
InChIKeyDPWJDNPPLDKZBU-UHFFFAOYSA-N
XLogP2.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794160
2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112895036
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80852291
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
CID 135116152
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895021
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80778639) is 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(N(C)Cc2ccccc2OC)n1.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is DPWJDNPPLDKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-10-17-16-18-11-9-15(19-16)20(2)12-13-7-5-6-8-14(13)21-3/h5-9,11H,4,10,12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80778639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).