5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride

C11H20Cl2N4O — CID 162422916

IUPAC5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
SMILESCOc1cnc(NCC2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-16-10-7-14-11(15-8-10)13-6-9-2-4-12-5-3-9;;/h7-9,12H,2-6H2,1H3,(H,13,14,15);2*1H
InChIKeyUIRXAWYNQIUKDZ-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.74
Rot. Bonds4

About 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride

5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride (PubChem CID 162422916) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
PubChem CID162422916
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
SMILESCOc1cnc(NCC2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-16-10-7-14-11(15-8-10)13-6-9-2-4-12-5-3-9;;/h7-9,12H,2-6H2,1H3,(H,13,14,15);2*1H
InChIKeyUIRXAWYNQIUKDZ-UHFFFAOYSA-N
XLogP1.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
5-methoxy-N-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
CID 114600775
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
CID 114600387
3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine
CID 22135591
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
5-methyl-N-(2-piperidin-4-ylethyl)pyrimidin-2-amine
CID 116975989
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
3,5-dimethyl-N-(piperidin-4-ylmethyl)pyridin-4-amine
CID 83837408

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
The IUPAC name of 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride (CID 162422916) is 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride is COc1cnc(NCC2CCNCC2)nc1.Cl.Cl.
What is the InChIKey of 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
The InChIKey is UIRXAWYNQIUKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-16-10-7-14-11(15-8-10)13-6-9-2-4-12-5-3-9;;/h7-9,12H,2-6H2,1H3,(H,13,14,15);2*1H.
What are the key properties of 5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 1.74, 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-4-ylmethyl)pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 162422916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).