5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine

C11H18N4O — CID 114600875

IUPAC5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
SMILESCOc1cnc(NCC2CCCNC2)nc1
InChIInChI=1S/C11H18N4O/c1-16-10-7-14-11(15-8-10)13-6-9-3-2-4-12-5-9/h7-9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyPDSQRNLGDFHGDN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds4

About 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine

5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 114600875) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
PubChem CID114600875
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
SMILESCOc1cnc(NCC2CCCNC2)nc1
InChIInChI=1S/C11H18N4O/c1-16-10-7-14-11(15-8-10)13-6-9-3-2-4-12-5-9/h7-9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyPDSQRNLGDFHGDN-UHFFFAOYSA-N
XLogP0.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 162422916
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine (CID 114600875) is 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine is COc1cnc(NCC2CCCNC2)nc1.
What is the InChIKey of 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is PDSQRNLGDFHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-10-7-14-11(15-8-10)13-6-9-3-2-4-12-5-9/h7-9,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 114600875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).