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

C13H21ClN4 — CID 79314849

IUPAC6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C13H21ClN4/c1-9-12(14)15-10(2)16-13(9)18(4)8-11-6-5-7-17(11)3/h11H,5-8H2,1-4H3
InChIKeyUARLRYSDYMFZHB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.28
Rot. Bonds3

About 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 79314849) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
PubChem CID79314849
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C13H21ClN4/c1-9-12(14)15-10(2)16-13(9)18(4)8-11-6-5-7-17(11)3/h11H,5-8H2,1-4H3
InChIKeyUARLRYSDYMFZHB-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (CID 79314849) is 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(C)CC2CCCN2C)n1.
What is the InChIKey of 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is UARLRYSDYMFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-12(14)15-10(2)16-13(9)18(4)8-11-6-5-7-17(11)3/h11H,5-8H2,1-4H3.
What are the key properties of 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79314849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).