N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine

C11H12N4O — CID 107588350

IUPACN-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
SMILESCOc1ccc(CNc2cncnc2)cn1
InChIInChI=1S/C11H12N4O/c1-16-11-3-2-9(5-15-11)4-14-10-6-12-8-13-7-10/h2-3,5-8,14H,4H2,1H3
InChIKeyUBWZQGZJYGNRJR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.49
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine

N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine (PubChem CID 107588350) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
PubChem CID107588350
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
SMILESCOc1ccc(CNc2cncnc2)cn1
InChIInChI=1S/C11H12N4O/c1-16-11-3-2-9(5-15-11)4-14-10-6-12-8-13-7-10/h2-3,5-8,14H,4H2,1H3
InChIKeyUBWZQGZJYGNRJR-UHFFFAOYSA-N
XLogP1.49
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735
3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114936305
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine (CID 107588350) is N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine is COc1ccc(CNc2cncnc2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine?
The InChIKey is UBWZQGZJYGNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-11-3-2-9(5-15-11)4-14-10-6-12-8-13-7-10/h2-3,5-8,14H,4H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine?
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine has a molecular weight of 216.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107588350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).