3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

C16H21N7 — CID 45486138

IUPAC3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCCN(CCC)c1cc(-c2c(N)nn3cccnc23)ncn1
InChIInChI=1S/C16H21N7/c1-3-7-22(8-4-2)13-10-12(19-11-20-13)14-15(17)21-23-9-5-6-18-16(14)23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,17,21)
InChIKeyUBHNRBCDGPKEKU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.39
Rot. Bonds6

About 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 45486138) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID45486138
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCCN(CCC)c1cc(-c2c(N)nn3cccnc23)ncn1
InChIInChI=1S/C16H21N7/c1-3-7-22(8-4-2)13-10-12(19-11-20-13)14-15(17)21-23-9-5-6-18-16(14)23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,17,21)
InChIKeyUBHNRBCDGPKEKU-UHFFFAOYSA-N
XLogP2.39
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 45486138) is 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is CCCN(CCC)c1cc(-c2c(N)nn3cccnc23)ncn1.
What is the InChIKey of 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is UBHNRBCDGPKEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-3-7-22(8-4-2)13-10-12(19-11-20-13)14-15(17)21-23-9-5-6-18-16(14)23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,17,21).
What are the key properties of 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dipropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 45486138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).