6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine

C18H26N6 — CID 45173265

IUPAC6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
SMILESc1nc(NCCc2n[nH]c3c2CCCC3)cc(C2CCCNC2)n1
InChIInChI=1S/C18H26N6/c1-2-6-15-14(5-1)16(24-23-15)7-9-20-18-10-17(21-12-22-18)13-4-3-8-19-11-13/h10,12-13,19H,1-9,11H2,(H,23,24)(H,20,21,22)
InChIKeyFJZJQFAMNJWHAV-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.20
Rot. Bonds5

About 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine

6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 45173265) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID45173265
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
SMILESc1nc(NCCc2n[nH]c3c2CCCC3)cc(C2CCCNC2)n1
InChIInChI=1S/C18H26N6/c1-2-6-15-14(5-1)16(24-23-15)7-9-20-18-10-17(21-12-22-18)13-4-3-8-19-11-13/h10,12-13,19H,1-9,11H2,(H,23,24)(H,20,21,22)
InChIKeyFJZJQFAMNJWHAV-UHFFFAOYSA-N
XLogP2.20
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 95216424
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 51907450
6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
CID 56714809
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 126423858
6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine
CID 138031055
N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
CID 154903804
5-[(3S)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)pyrazin-2-amine
CID 95825535
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
CID 62113034
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
6-cyclopropyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 72882041
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine (CID 45173265) is 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine is c1nc(NCCc2n[nH]c3c2CCCC3)cc(C2CCCNC2)n1.
What is the InChIKey of 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FJZJQFAMNJWHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-2-6-15-14(5-1)16(24-23-15)7-9-20-18-10-17(21-12-22-18)13-4-3-8-19-11-13/h10,12-13,19H,1-9,11H2,(H,23,24)(H,20,21,22).
What are the key properties of 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 45173265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).