3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one

C19H21N5O2 — CID 68752185

IUPAC3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one
SMILESCCCNc1nc(Nc2ccc3c(c2)NC(=O)C3(C)C)nc2ccoc12
InChIInChI=1S/C19H21N5O2/c1-4-8-20-16-15-13(7-9-26-15)23-18(24-16)21-11-5-6-12-14(10-11)22-17(25)19(12,2)3/h5-7,9-10H,4,8H2,1-3H3,(H,22,25)(H2,20,21,23,24)
InChIKeyXGCPAAWOTJFTEF-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.02
Rot. Bonds5

About 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one

3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one (PubChem CID 68752185) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one
PubChem CID68752185
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one
SMILESCCCNc1nc(Nc2ccc3c(c2)NC(=O)C3(C)C)nc2ccoc12
InChIInChI=1S/C19H21N5O2/c1-4-8-20-16-15-13(7-9-26-15)23-18(24-16)21-11-5-6-12-14(10-11)22-17(25)19(12,2)3/h5-7,9-10H,4,8H2,1-3H3,(H,22,25)(H2,20,21,23,24)
InChIKeyXGCPAAWOTJFTEF-UHFFFAOYSA-N
XLogP4.02
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one (CID 68752185) is 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one is CCCNc1nc(Nc2ccc3c(c2)NC(=O)C3(C)C)nc2ccoc12.
What is the InChIKey of 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one?
The InChIKey is XGCPAAWOTJFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-8-20-16-15-13(7-9-26-15)23-18(24-16)21-11-5-6-12-14(10-11)22-17(25)19(12,2)3/h5-7,9-10H,4,8H2,1-3H3,(H,22,25)(H2,20,21,23,24).
What are the key properties of 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one?
3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one has a molecular weight of 351.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 68752185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).