4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C11H16N6 — CID 114112598

IUPAC4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCCC1CC1Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C11H16N6/c1-2-3-6-4-8(6)14-9-7-5-13-17-10(7)16-11(12)15-9/h5-6,8H,2-4H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyMEPLLGQDPIEGFV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.54
Rot. Bonds4

About 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 114112598) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID114112598
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCCC1CC1Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C11H16N6/c1-2-3-6-4-8(6)14-9-7-5-13-17-10(7)16-11(12)15-9/h5-6,8H,2-4H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyMEPLLGQDPIEGFV-UHFFFAOYSA-N
XLogP1.54
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114122145
4-(2,2-dimethylhydrazinyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83026942
5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870764
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 114157121
3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138335
5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
CID 114112585
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39804562
4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 113478383
2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632933
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557102
N-(2-propylcyclopropyl)pyrimidin-2-amine
CID 103710927

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 114112598) is 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCCC1CC1Nc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is MEPLLGQDPIEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-3-6-4-8(6)14-9-7-5-13-17-10(7)16-11(12)15-9/h5-6,8H,2-4H2,1H3,(H4,12,13,14,15,16,17).
What are the key properties of 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 114112598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).