5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine

C9H14ClN5 — CID 175114467

IUPAC5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCNC2)ncc1Cl
InChIInChI=1S/C9H14ClN5/c1-11-8-7(10)5-13-9(15-8)14-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H2,11,13,14,15)
InChIKeyWOZOOXZNINLAOK-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.95
Rot. Bonds3

About 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine

5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine (PubChem CID 175114467) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
PubChem CID175114467
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCNC2)ncc1Cl
InChIInChI=1S/C9H14ClN5/c1-11-8-7(10)5-13-9(15-8)14-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H2,11,13,14,15)
InChIKeyWOZOOXZNINLAOK-UHFFFAOYSA-N
XLogP0.95
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine (CID 175114467) is 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine is CNc1nc(NC2CCNC2)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine?
The InChIKey is WOZOOXZNINLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-11-8-7(10)5-13-9(15-8)14-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H2,11,13,14,15).
What are the key properties of 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine?
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine has a molecular weight of 227.70 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 175114467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).