4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

C14H21N7 — CID 133454093

IUPAC4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESCN(C)C(CNc1cc(-n2cccn2)nc(N)n1)C1CC1
InChIInChI=1S/C14H21N7/c1-20(2)11(10-4-5-10)9-16-12-8-13(19-14(15)18-12)21-7-3-6-17-21/h3,6-8,10-11H,4-5,9H2,1-2H3,(H3,15,16,18,19)
InChIKeyUDQCFNJOKLWIKO-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.00
Rot. Bonds6

About 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (PubChem CID 133454093) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
PubChem CID133454093
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESCN(C)C(CNc1cc(-n2cccn2)nc(N)n1)C1CC1
InChIInChI=1S/C14H21N7/c1-20(2)11(10-4-5-10)9-16-12-8-13(19-14(15)18-12)21-7-3-6-17-21/h3,6-8,10-11H,4-5,9H2,1-2H3,(H3,15,16,18,19)
InChIKeyUDQCFNJOKLWIKO-UHFFFAOYSA-N
XLogP1.00
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (CID 133454093) is 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is CN(C)C(CNc1cc(-n2cccn2)nc(N)n1)C1CC1.
What is the InChIKey of 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The InChIKey is UDQCFNJOKLWIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-20(2)11(10-4-5-10)9-16-12-8-13(19-14(15)18-12)21-7-3-6-17-21/h3,6-8,10-11H,4-5,9H2,1-2H3,(H3,15,16,18,19).
What are the key properties of 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 133454093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).