4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine

C11H13N5O — CID 80831883

IUPAC4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(N)n2)cn1
InChIInChI=1S/C11H13N5O/c1-17-10-3-2-8(7-15-10)6-14-9-4-5-13-11(12)16-9/h2-5,7H,6H2,1H3,(H3,12,13,14,16)
InChIKeyAKGXEEVHWOMWGT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.07
Rot. Bonds4

About 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine

4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80831883) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID80831883
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(N)n2)cn1
InChIInChI=1S/C11H13N5O/c1-17-10-3-2-8(7-15-10)6-14-9-4-5-13-11(12)16-9/h2-5,7H,6H2,1H3,(H3,12,13,14,16)
InChIKeyAKGXEEVHWOMWGT-UHFFFAOYSA-N
XLogP1.07
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831876
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217

Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 80831883) is 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine is COc1ccc(CNc2ccnc(N)n2)cn1.
What is the InChIKey of 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AKGXEEVHWOMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-10-3-2-8(7-15-10)6-14-9-4-5-13-11(12)16-9/h2-5,7H,6H2,1H3,(H3,12,13,14,16).
What are the key properties of 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80831883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).