N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine

C12H14N4O — CID 62996638

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(C)n2)cn1
InChIInChI=1S/C12H14N4O/c1-9-5-6-13-12(16-9)15-8-10-3-4-11(17-2)14-7-10/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyYERBSDZOGHKVTQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.80
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine

N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 62996638) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
PubChem CID62996638
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(C)n2)cn1
InChIInChI=1S/C12H14N4O/c1-9-5-6-13-12(16-9)15-8-10-3-4-11(17-2)14-7-10/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyYERBSDZOGHKVTQ-UHFFFAOYSA-N
XLogP1.80
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 62958563
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
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
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
CID 133474574
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine (CID 62996638) is N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine is COc1ccc(CNc2nccc(C)n2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is YERBSDZOGHKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-5-6-13-12(16-9)15-8-10-3-4-11(17-2)14-7-10/h3-7H,8H2,1-2H3,(H,13,15,16).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 230.27 g/mol, XLogP of 1.80, 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]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 62996638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).