5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

C19H21N5O — CID 11660043

IUPAC5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
SMILESNCc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1
InChIInChI=1S/C19H21N5O/c20-10-13-6-8-15(9-7-13)17-16(23-19(22)24-18(17)21)12-25-11-14-4-2-1-3-5-14/h1-9H,10-12,20H2,(H4,21,22,23,24)
InChIKeyOQHNPKMEEOOURR-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.48
Rot. Bonds6

About 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine (PubChem CID 11660043) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
PubChem CID11660043
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
SMILESNCc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1
InChIInChI=1S/C19H21N5O/c20-10-13-6-8-15(9-7-13)17-16(23-19(22)24-18(17)21)12-25-11-14-4-2-1-3-5-14/h1-9H,10-12,20H2,(H4,21,22,23,24)
InChIKeyOQHNPKMEEOOURR-UHFFFAOYSA-N
XLogP2.48
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine (CID 11660043) is 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine is NCc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
The InChIKey is OQHNPKMEEOOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-10-13-6-8-15(9-7-13)17-16(23-19(22)24-18(17)21)12-25-11-14-4-2-1-3-5-14/h1-9H,10-12,20H2,(H4,21,22,23,24).
What are the key properties of 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine has a molecular weight of 335.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11660043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).