5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine

C11H16ClN5 — CID 80813553

IUPAC5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C11H16ClN5/c12-9-5-14-11(13)16-10(9)15-7-3-4-17(6-7)8-1-2-8/h5,7-8H,1-4,6H2,(H3,13,14,15,16)
InChIKeyRASMEODOYIRSTE-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.36
Rot. Bonds3

About 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 80813553) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
PubChem CID80813553
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C11H16ClN5/c12-9-5-14-11(13)16-10(9)15-7-3-4-17(6-7)8-1-2-8/h5,7-8H,1-4,6H2,(H3,13,14,15,16)
InChIKeyRASMEODOYIRSTE-UHFFFAOYSA-N
XLogP1.36
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-5-sulfonamide
CID 62156639
4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine
CID 114998919
6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine
CID 80972393
5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80847184
5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65474046
5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 171660645
5-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 81317228
5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 64606278
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
6-bromo-N-(1-cyclopropylpyrrolidin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79947242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine (CID 80813553) is 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(NC2CCN(C3CC3)C2)n1.
What is the InChIKey of 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is RASMEODOYIRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c12-9-5-14-11(13)16-10(9)15-7-3-4-17(6-7)8-1-2-8/h5,7-8H,1-4,6H2,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 253.74 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80813553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).