N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

C13H17N5O2 — CID 61016172

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccnc(C)n1
InChIInChI=1S/C13H17N5O2/c1-9-15-5-4-10(18-9)6-14-7-11-12(19-2)16-8-17-13(11)20-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyNUJGTRKOBOXIRF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 61016172) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID61016172
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccnc(C)n1
InChIInChI=1S/C13H17N5O2/c1-9-15-5-4-10(18-9)6-14-7-11-12(19-2)16-8-17-13(11)20-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyNUJGTRKOBOXIRF-UHFFFAOYSA-N
XLogP0.88
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 115634860
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170956
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62747714
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzonitrile
CID 47272282
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 62344748

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (CID 61016172) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is COc1ncnc(OC)c1CNCc1ccnc(C)n1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is NUJGTRKOBOXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-15-5-4-10(18-9)6-14-7-11-12(19-2)16-8-17-13(11)20-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 275.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 61016172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).