(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine

C16H20N4O — CID 136718049

IUPAC(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESc1ccc2c(c1)C[C@@H](NC[C@@H]1CNc3ccnn3C1)CO2
InChIInChI=1S/C16H20N4O/c1-2-4-15-13(3-1)7-14(11-21-15)17-8-12-9-18-16-5-6-19-20(16)10-12/h1-6,12,14,17-18H,7-11H2/t12-,14-/m1/s1
InChIKeyGTUSJPNVWJNGER-TZMCWYRMSA-N
MW284.36 g/mol
LogP1.52
Rot. Bonds3

About (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine

(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 136718049) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID136718049
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESc1ccc2c(c1)C[C@@H](NC[C@@H]1CNc3ccnn3C1)CO2
InChIInChI=1S/C16H20N4O/c1-2-4-15-13(3-1)7-14(11-21-15)17-8-12-9-18-16-5-6-19-20(16)10-12/h1-6,12,14,17-18H,7-11H2/t12-,14-/m1/s1
InChIKeyGTUSJPNVWJNGER-TZMCWYRMSA-N
XLogP1.52
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-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

(3S)-1-benzyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29255868
N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 74567618
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45222672
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905595
N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 56710373
1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 137225330

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine (CID 136718049) is (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine is c1ccc2c(c1)C[C@@H](NC[C@@H]1CNc3ccnn3C1)CO2.
What is the InChIKey of (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is GTUSJPNVWJNGER-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-4-15-13(3-1)7-14(11-21-15)17-8-12-9-18-16-5-6-19-20(16)10-12/h1-6,12,14,17-18H,7-11H2/t12-,14-/m1/s1.
What are the key properties of (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 284.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 136718049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).