2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride

C10H17Cl3N4O — CID 86618550

IUPAC2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
SMILESCOc1cnc(Cl)nc1NC1CCNCC1.Cl.Cl
InChIInChI=1S/C10H15ClN4O.2ClH/c1-16-8-6-13-10(11)15-9(8)14-7-2-4-12-5-3-7;;/h6-7,12H,2-5H2,1H3,(H,13,14,15);2*1H
InChIKeyMYYTVCLOSZCUPO-UHFFFAOYSA-N
MW315.63 g/mol
LogP2.15
Rot. Bonds3

About 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride

2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride (PubChem CID 86618550) has the molecular formula C10H17Cl3N4O and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
PubChem CID86618550
Molecular FormulaC10H17Cl3N4O
Molecular Weight315.63 g/mol
Exact Mass314.05
IUPAC Name2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
SMILESCOc1cnc(Cl)nc1NC1CCNCC1.Cl.Cl
InChIInChI=1S/C10H15ClN4O.2ClH/c1-16-8-6-13-10(11)15-9(8)14-7-2-4-12-5-3-7;;/h6-7,12H,2-5H2,1H3,(H,13,14,15);2*1H
InChIKeyMYYTVCLOSZCUPO-UHFFFAOYSA-N
XLogP2.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.63
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
CID 146275528
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
CID 107173705
N-[1-[(4-amino-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-chloro-5-methoxypyrimidin-4-amine
CID 87286691
N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
CID 126665328
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
methyl 2-chloro-4-(cyclobutylamino)pyrimidine-5-carboxylate
CID 135200676
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539
N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane
CID 143811544
6-methoxy-N-piperidin-4-ylisoquinolin-5-amine
CID 82582664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride (CID 86618550) is 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride is COc1cnc(Cl)nc1NC1CCNCC1.Cl.Cl.
What is the InChIKey of 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride?
The InChIKey is MYYTVCLOSZCUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O.2ClH/c1-16-8-6-13-10(11)15-9(8)14-7-2-4-12-5-3-7;;/h6-7,12H,2-5H2,1H3,(H,13,14,15);2*1H.
What are the key properties of 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride?
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride has a molecular weight of 315.63 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 86618550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).