6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

C13H21ClN4O — CID 114516488

IUPAC6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1NCCC1CCN(C)CC1
InChIInChI=1S/C13H21ClN4O/c1-18-7-4-10(5-8-18)3-6-15-13-11(19-2)12(14)16-9-17-13/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyCPCDNBPCKGZWAC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.28
Rot. Bonds5

About 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 114516488) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
PubChem CID114516488
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1NCCC1CCN(C)CC1
InChIInChI=1S/C13H21ClN4O/c1-18-7-4-10(5-8-18)3-6-15-13-11(19-2)12(14)16-9-17-13/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyCPCDNBPCKGZWAC-UHFFFAOYSA-N
XLogP2.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (CID 114516488) is 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is COc1c(Cl)ncnc1NCCC1CCN(C)CC1.
What is the InChIKey of 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is CPCDNBPCKGZWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-18-7-4-10(5-8-18)3-6-15-13-11(19-2)12(14)16-9-17-13/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 284.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 114516488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).