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

C24H24N6O — CID 11327400

IUPAC6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C24H24N6O/c25-23-22(19-6-8-20(9-7-19)28-14-17-10-12-27-13-11-17)21(29-24(26)30-23)16-31-15-18-4-2-1-3-5-18/h1-13,28H,14-16H2,(H4,25,26,29,30)
InChIKeyHDJPAPNEPOKPQG-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.03
Rot. Bonds8

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

6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine (PubChem CID 11327400) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine
PubChem CID11327400
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C24H24N6O/c25-23-22(19-6-8-20(9-7-19)28-14-17-10-12-27-13-11-17)21(29-24(26)30-23)16-31-15-18-4-2-1-3-5-18/h1-13,28H,14-16H2,(H4,25,26,29,30)
InChIKeyHDJPAPNEPOKPQG-UHFFFAOYSA-N
XLogP4.03
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(Benzyloxy)methyl]-5-(4-{[(4-nitrophenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11340044
6-[(Benzyloxy)methyl]-5-(4-{[(4-nitrophenyl)amino]methyl}phenyl)pyrimidine-2,4-diamine
CID 11476589
1-(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-3-propan-2-ylurea
CID 11154001
4-{[(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)amino]methyl}benzonitrile
CID 11154823
6-[(Benzyloxy)methyl]-5-{4-[(2,2-dimethylpropyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11176805
2,4-Diaminopyrimidine-based antagonist, 13c
CID 11211892
N-benzyl-N'-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)urea
CID 11248021
5-[4-(Benzylamino)phenyl]-6-[(benzyloxy)methyl]pyrimidine-2,4-diamine
CID 11281346
6-Benzyloxymethyl-5-[4-(4-chloro-benzylamino)-phenyl]-pyrimidine-2,4-diamine
CID 11282247
2,4-Diaminopyrimidine-based antagonist, 13b
CID 11314908
6-[(Benzyloxy)methyl]-5-(4-{[(2-chloropyridin-4-yl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11339816
3-(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-1-(2-phenylethyl)urea
CID 11340329

Frequently Asked Questions

What is the IUPAC name of 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine (CID 11327400) is 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine is Nc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1.
What is the InChIKey of 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine?
The InChIKey is HDJPAPNEPOKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c25-23-22(19-6-8-20(9-7-19)28-14-17-10-12-27-13-11-17)21(29-24(26)30-23)16-31-15-18-4-2-1-3-5-18/h1-13,28H,14-16H2,(H4,25,26,29,30).
What are the key properties of 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine?
6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine has a molecular weight of 412.50 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylmethoxymethyl)-5-[4-(pyridin-4-ylmethylamino)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11327400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).