4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine

C12H21N5O — CID 45184702

IUPAC4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCCC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-16(2)9-5-4-6-17(8-9)10-7-11(18-3)15-12(13)14-10/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15)
InChIKeyZVHPYLSZRYKCCM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.60
Rot. Bonds3

About 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine

4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 45184702) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID45184702
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCCC(N(C)C)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-16(2)9-5-4-6-17(8-9)10-7-11(18-3)15-12(13)14-10/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15)
InChIKeyZVHPYLSZRYKCCM-UHFFFAOYSA-N
XLogP0.60
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327
6-[3-(dimethylamino)piperidin-1-yl]pyrimidin-4-amine
CID 80856163
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 113401025
6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80792622
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
4-methoxy-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 146044412
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 114562722
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80950779
5-[3-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66281219
4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
CID 97282747
4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
CID 97282748
1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 66449162

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine (CID 45184702) is 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CCCC(N(C)C)C2)nc(N)n1.
What is the InChIKey of 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is ZVHPYLSZRYKCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(2)9-5-4-6-17(8-9)10-7-11(18-3)15-12(13)14-10/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 45184702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).