5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine

C13H21N5 — CID 54437952

IUPAC5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCN(c1ncc(C2CC2)c(N)n1)C1CCNCC1
InChIInChI=1S/C13H21N5/c1-18(10-4-6-15-7-5-10)13-16-8-11(9-2-3-9)12(14)17-13/h8-10,15H,2-7H2,1H3,(H2,14,16,17)
InChIKeyWMBCQPUDQKQKCQ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.12
Rot. Bonds3

About 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine

5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 54437952) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID54437952
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCN(c1ncc(C2CC2)c(N)n1)C1CCNCC1
InChIInChI=1S/C13H21N5/c1-18(10-4-6-15-7-5-10)13-16-8-11(9-2-3-9)12(14)17-13/h8-10,15H,2-7H2,1H3,(H2,14,16,17)
InChIKeyWMBCQPUDQKQKCQ-UHFFFAOYSA-N
XLogP1.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 54437952) is 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine is CN(c1ncc(C2CC2)c(N)n1)C1CCNCC1.
What is the InChIKey of 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is WMBCQPUDQKQKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-18(10-4-6-15-7-5-10)13-16-8-11(9-2-3-9)12(14)17-13/h8-10,15H,2-7H2,1H3,(H2,14,16,17).
What are the key properties of 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54437952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).