5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine

C13H17N5O2 — CID 516684

IUPAC5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine
SMILESCOc1ccc(CNc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C13H17N5O2/c1-19-10-4-3-8(5-11(10)20-2)6-16-9-7-17-13(15)18-12(9)14/h3-5,7,16H,6H2,1-2H3,(H4,14,15,17,18)
InChIKeyZEMDNOVIPZVJLT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.27
Rot. Bonds5

About 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine

5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine (PubChem CID 516684) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine
PubChem CID516684
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine
SMILESCOc1ccc(CNc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C13H17N5O2/c1-19-10-4-3-8(5-11(10)20-2)6-16-9-7-17-13(15)18-12(9)14/h3-5,7,16H,6H2,1-2H3,(H4,14,15,17,18)
InChIKeyZEMDNOVIPZVJLT-UHFFFAOYSA-N
XLogP1.27
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80787012
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364033
5-[(3-butoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11403887
5-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 3078601
5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 21146375
2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 43683051
5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 71650296
N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43716980

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine (CID 516684) is 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine is COc1ccc(CNc2cnc(N)nc2N)cc1OC.
What is the InChIKey of 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine?
The InChIKey is ZEMDNOVIPZVJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-19-10-4-3-8(5-11(10)20-2)6-16-9-7-17-13(15)18-12(9)14/h3-5,7,16H,6H2,1-2H3,(H4,14,15,17,18).
What are the key properties of 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine?
5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine has a molecular weight of 275.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 516684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).