2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine

C11H13N5O — CID 62989885

IUPAC2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
SMILESCOc1ccc(CNc2ncc(N)cn2)cn1
InChIInChI=1S/C11H13N5O/c1-17-10-3-2-8(4-13-10)5-14-11-15-6-9(12)7-16-11/h2-4,6-7H,5,12H2,1H3,(H,14,15,16)
InChIKeyUTZCXZRJAAYAHY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.07
Rot. Bonds4

About 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine

2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine (PubChem CID 62989885) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
PubChem CID62989885
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
SMILESCOc1ccc(CNc2ncc(N)cn2)cn1
InChIInChI=1S/C11H13N5O/c1-17-10-3-2-8(4-13-10)5-14-11-15-6-9(12)7-16-11/h2-4,6-7H,5,12H2,1H3,(H,14,15,16)
InChIKeyUTZCXZRJAAYAHY-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-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80831148

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine (CID 62989885) is 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine is COc1ccc(CNc2ncc(N)cn2)cn1.
What is the InChIKey of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine?
The InChIKey is UTZCXZRJAAYAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-10-3-2-8(4-13-10)5-14-11-15-6-9(12)7-16-11/h2-4,6-7H,5,12H2,1H3,(H,14,15,16).
What are the key properties of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine?
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-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 2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 62989885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).