4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine

C13H22N4O2 — CID 115355065

IUPAC4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2CCCCN2C)n1
InChIInChI=1S/C13H22N4O2/c1-17-7-5-4-6-10(17)9-14-13-15-11(18-2)8-12(16-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyQHGSVKUDHFVEDZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.39
Rot. Bonds5

About 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine

4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 115355065) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
PubChem CID115355065
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2CCCCN2C)n1
InChIInChI=1S/C13H22N4O2/c1-17-7-5-4-6-10(17)9-14-13-15-11(18-2)8-12(16-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyQHGSVKUDHFVEDZ-UHFFFAOYSA-N
XLogP1.39
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
4-chloro-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-1,3,5-triazin-2-amine
CID 62858154
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine
CID 166992419
3,5-dichloro-6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 102761888
4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 79400249
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 142876099
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106029018

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine (CID 115355065) is 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine is COc1cc(OC)nc(NCC2CCCCN2C)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is QHGSVKUDHFVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17-7-5-4-6-10(17)9-14-13-15-11(18-2)8-12(16-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 115355065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).