6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione

C21H26N6O2 — CID 177163117

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CC2CCC1(C)C2(C)C
InChIInChI=1S/C21H26N6O2/c1-11-7-13(25-15-8-14(22)23-10-24-15)18(29)27-16(11)17(28)26-21(27)9-12-5-6-20(21,4)19(12,2)3/h7-8,10,12H,5-6,9H2,1-4H3,(H,26,28)(H3,22,23,24,25)
InChIKeyNLBCQKCTTOQZCH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.51
Rot. Bonds2

About 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione

6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione (PubChem CID 177163117) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
PubChem CID177163117
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CC2CCC1(C)C2(C)C
InChIInChI=1S/C21H26N6O2/c1-11-7-13(25-15-8-14(22)23-10-24-15)18(29)27-16(11)17(28)26-21(27)9-12-5-6-20(21,4)19(12,2)3/h7-8,10,12H,5-6,9H2,1-4H3,(H,26,28)(H3,22,23,24,25)
InChIKeyNLBCQKCTTOQZCH-UHFFFAOYSA-N
XLogP2.51
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione (CID 177163117) is 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CC2CCC1(C)C2(C)C.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione?
The InChIKey is NLBCQKCTTOQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-11-7-13(25-15-8-14(22)23-10-24-15)18(29)27-16(11)17(28)26-21(27)9-12-5-6-20(21,4)19(12,2)3/h7-8,10,12H,5-6,9H2,1-4H3,(H,26,28)(H3,22,23,24,25).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione?
6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione has a molecular weight of 394.48 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione is sourced from PubChem (CID 177163117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).