6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

C22H21N5 — CID 70979180

IUPAC6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C22H21N5/c1-14-24-20(16-9-10-17-13-23-27-21(17)11-16)12-22(25-14)26-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19H,4,6,8H2,1H3,(H,23,27)(H,24,25,26)/t19-/m1/s1
InChIKeyKTJDVQCMXYGOJF-LJQANCHMSA-N
MW355.45 g/mol
LogP4.82
Rot. Bonds3

About 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 70979180) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID70979180
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C22H21N5/c1-14-24-20(16-9-10-17-13-23-27-21(17)11-16)12-22(25-14)26-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19H,4,6,8H2,1H3,(H,23,27)(H,24,25,26)/t19-/m1/s1
InChIKeyKTJDVQCMXYGOJF-LJQANCHMSA-N
XLogP4.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 70979180) is 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is KTJDVQCMXYGOJF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N5/c1-14-24-20(16-9-10-17-13-23-27-21(17)11-16)12-22(25-14)26-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19H,4,6,8H2,1H3,(H,23,27)(H,24,25,26)/t19-/m1/s1.
What are the key properties of 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70979180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).