6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

C10H16ClN5 — CID 78931860

IUPAC6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCC(CNc2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C10H16ClN5/c1-16-3-2-7(6-16)5-13-9-4-8(11)14-10(12)15-9/h4,7H,2-3,5-6H2,1H3,(H3,12,13,14,15)
InChIKeyJCLJNBSYFSKIEU-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.08
Rot. Bonds3

About 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 78931860) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID78931860
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCC(CNc2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C10H16ClN5/c1-16-3-2-7(6-16)5-13-9-4-8(11)14-10(12)15-9/h4,7H,2-3,5-6H2,1H3,(H3,12,13,14,15)
InChIKeyJCLJNBSYFSKIEU-UHFFFAOYSA-N
XLogP1.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (CID 78931860) is 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is CN1CCC(CNc2cc(Cl)nc(N)n2)C1.
What is the InChIKey of 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is JCLJNBSYFSKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-16-3-2-7(6-16)5-13-9-4-8(11)14-10(12)15-9/h4,7H,2-3,5-6H2,1H3,(H3,12,13,14,15).
What are the key properties of 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 241.73 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78931860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).