(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

C19H24N6O2 — CID 167457448

IUPAC(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)N[C@H]2CCCC1(C)CC1
InChIInChI=1S/C19H24N6O2/c1-11-8-12(23-14-9-13(20)21-10-22-14)18(27)25-15(24-17(26)16(11)25)4-3-5-19(2)6-7-19/h8-10,15H,3-7H2,1-2H3,(H,24,26)(H3,20,21,22,23)/t15-/m1/s1
InChIKeyHIAHQNNSQTZIJG-OAHLLOKOSA-N
MW368.44 g/mol
LogP2.48
Rot. Bonds6

About (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (PubChem CID 167457448) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
PubChem CID167457448
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)N[C@H]2CCCC1(C)CC1
InChIInChI=1S/C19H24N6O2/c1-11-8-12(23-14-9-13(20)21-10-22-14)18(27)25-15(24-17(26)16(11)25)4-3-5-19(2)6-7-19/h8-10,15H,3-7H2,1-2H3,(H,24,26)(H3,20,21,22,23)/t15-/m1/s1
InChIKeyHIAHQNNSQTZIJG-OAHLLOKOSA-N
XLogP2.48
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (CID 167457448) is (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)N[C@H]2CCCC1(C)CC1.
What is the InChIKey of (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is HIAHQNNSQTZIJG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11-8-12(23-14-9-13(20)21-10-22-14)18(27)25-15(24-17(26)16(11)25)4-3-5-19(2)6-7-19/h8-10,15H,3-7H2,1-2H3,(H,24,26)(H3,20,21,22,23)/t15-/m1/s1.
What are the key properties of (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 368.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 167457448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).