4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide

C16H20N6O — CID 138036032

IUPAC4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide
SMILESNc1nc(C2CC2)ncc1C(=O)NCc1n[nH]c2c1CCCC2
InChIInChI=1S/C16H20N6O/c17-14-11(7-18-15(20-14)9-5-6-9)16(23)19-8-13-10-3-1-2-4-12(10)21-22-13/h7,9H,1-6,8H2,(H,19,23)(H,21,22)(H2,17,18,20)
InChIKeyDVFZQYIWSMBYLW-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.47
Rot. Bonds4

About 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide

4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 138036032) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID138036032
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide
SMILESNc1nc(C2CC2)ncc1C(=O)NCc1n[nH]c2c1CCCC2
InChIInChI=1S/C16H20N6O/c17-14-11(7-18-15(20-14)9-5-6-9)16(23)19-8-13-10-3-1-2-4-12(10)21-22-13/h7,9H,1-6,8H2,(H,19,23)(H,21,22)(H2,17,18,20)
InChIKeyDVFZQYIWSMBYLW-UHFFFAOYSA-N
XLogP1.47
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219
(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 136548872
2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154909937
6-(methylsulfamoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyridine-3-carboxamide
CID 122153605
4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide
CID 138987369
4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 126802002
6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide
CID 166303387
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide
CID 121494629
5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 166386360
4-amino-2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrimidine-5-carboxamide
CID 128715486
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexane-1-carboxamide
CID 170510670
(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126446748

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide (CID 138036032) is 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide is Nc1nc(C2CC2)ncc1C(=O)NCc1n[nH]c2c1CCCC2.
What is the InChIKey of 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is DVFZQYIWSMBYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c17-14-11(7-18-15(20-14)9-5-6-9)16(23)19-8-13-10-3-1-2-4-12(10)21-22-13/h7,9H,1-6,8H2,(H,19,23)(H,21,22)(H2,17,18,20).
What are the key properties of 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide?
4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 138036032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).