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

C14H19N5O — CID 80983795

IUPAC2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccnc(OC)c2)n1
InChIInChI=1S/C14H19N5O/c1-4-11-18-13(15)9(2)14(19-11)17-8-10-5-6-16-12(7-10)20-3/h5-7H,4,8H2,1-3H3,(H3,15,17,18,19)
InChIKeyLKXPETDHSWPAQL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.95
Rot. Bonds5

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

2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine (PubChem CID 80983795) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
PubChem CID80983795
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccnc(OC)c2)n1
InChIInChI=1S/C14H19N5O/c1-4-11-18-13(15)9(2)14(19-11)17-8-10-5-6-16-12(7-10)20-3/h5-7H,4,8H2,1-3H3,(H3,15,17,18,19)
InChIKeyLKXPETDHSWPAQL-UHFFFAOYSA-N
XLogP1.95
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 80914693

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine (CID 80983795) is 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCc2ccnc(OC)c2)n1.
What is the InChIKey of 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine?
The InChIKey is LKXPETDHSWPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-11-18-13(15)9(2)14(19-11)17-8-10-5-6-16-12(7-10)20-3/h5-7H,4,8H2,1-3H3,(H3,15,17,18,19).
What are the key properties of 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).