4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide

C19H27N5O3 — CID 71654987

IUPAC4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
SMILESCC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)oc23)CC1
InChIInChI=1S/C19H27N5O3/c1-19(2,3)18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(27-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)
InChIKeyIGMPDCGJVCVHFH-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.09
Rot. Bonds5

About 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide

4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654987) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654987
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
SMILESCC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)oc23)CC1
InChIInChI=1S/C19H27N5O3/c1-19(2,3)18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(27-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)
InChIKeyIGMPDCGJVCVHFH-UHFFFAOYSA-N
XLogP2.09
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide (CID 71654987) is 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide is CC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)oc23)CC1.
What is the InChIKey of 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is IGMPDCGJVCVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-19(2,3)18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(27-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26).
What are the key properties of 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]furo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).