5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine

C13H17N5O — CID 80831799

IUPAC5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCc1ccnc(OC)c1
InChIInChI=1S/C13H17N5O/c1-3-10-12(14)17-8-18-13(10)16-7-9-4-5-15-11(6-9)19-2/h4-6,8H,3,7H2,1-2H3,(H3,14,16,17,18)
InChIKeyUFRRWADMQWPNNX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds5

About 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine

5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80831799) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
PubChem CID80831799
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCc1ccnc(OC)c1
InChIInChI=1S/C13H17N5O/c1-3-10-12(14)17-8-18-13(10)16-7-9-4-5-15-11(6-9)19-2/h4-6,8H,3,7H2,1-2H3,(H3,14,16,17,18)
InChIKeyUFRRWADMQWPNNX-UHFFFAOYSA-N
XLogP1.64
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809447
2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80983795
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80831148
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 171328361
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
CID 133422610
6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180851
5-ethyl-4-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-diamine
CID 80796060

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine (CID 80831799) is 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCc1ccnc(OC)c1.
What is the InChIKey of 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is UFRRWADMQWPNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-10-12(14)17-8-18-13(10)16-7-9-4-5-15-11(6-9)19-2/h4-6,8H,3,7H2,1-2H3,(H3,14,16,17,18).
What are the key properties of 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80831799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).