2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

C23H23N5 — CID 123406074

IUPAC2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)c([C@@H]2CCCc3ccccc32)c(-c2ccc3cnn(C)c3c2)n1
InChIInChI=1S/C23H23N5/c1-14-26-22(16-10-11-17-13-25-28(2)20(17)12-16)21(23(24)27-14)19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-13,19H,5,7,9H2,1-2H3,(H2,24,26,27)/t19-/m1/s1
InChIKeyFIKYKPLZSHKELW-LJQANCHMSA-N
MW369.47 g/mol
LogP4.39
Rot. Bonds2

About 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 123406074) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID123406074
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)c([C@@H]2CCCc3ccccc32)c(-c2ccc3cnn(C)c3c2)n1
InChIInChI=1S/C23H23N5/c1-14-26-22(16-10-11-17-13-25-28(2)20(17)12-16)21(23(24)27-14)19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-13,19H,5,7,9H2,1-2H3,(H2,24,26,27)/t19-/m1/s1
InChIKeyFIKYKPLZSHKELW-LJQANCHMSA-N
XLogP4.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 123406074) is 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is Cc1nc(N)c([C@@H]2CCCc3ccccc32)c(-c2ccc3cnn(C)c3c2)n1.
What is the InChIKey of 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is FIKYKPLZSHKELW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23N5/c1-14-26-22(16-10-11-17-13-25-28(2)20(17)12-16)21(23(24)27-14)19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-13,19H,5,7,9H2,1-2H3,(H2,24,26,27)/t19-/m1/s1.
What are the key properties of 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylindazol-6-yl)-5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 123406074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).