5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

C11H17ClN4O — CID 114138477

IUPAC5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2CCCN2C)n1
InChIInChI=1S/C11H17ClN4O/c1-16-5-3-4-8(16)6-13-10-9(12)7-14-11(15-10)17-2/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAOQVDKXSHJHESI-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.64
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 114138477) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
PubChem CID114138477
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2CCCN2C)n1
InChIInChI=1S/C11H17ClN4O/c1-16-5-3-4-8(16)6-13-10-9(12)7-14-11(15-10)17-2/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAOQVDKXSHJHESI-UHFFFAOYSA-N
XLogP1.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (CID 114138477) is 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCC2CCCN2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is AOQVDKXSHJHESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16-5-3-4-8(16)6-13-10-9(12)7-14-11(15-10)17-2/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 256.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114138477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).