4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide

C17H23N5O2 — CID 134141868

IUPAC4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C2CCCNC2)c(NCc2ccco2)n1
InChIInChI=1S/C17H23N5O2/c1-12-19-11-15(16(21-12)20-10-14-6-4-8-24-14)17(23)22(2)13-5-3-7-18-9-13/h4,6,8,11,13,18H,3,5,7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyUUCKKQCGGNDGNA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.81
Rot. Bonds5

About 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide

4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide (PubChem CID 134141868) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide
PubChem CID134141868
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C2CCCNC2)c(NCc2ccco2)n1
InChIInChI=1S/C17H23N5O2/c1-12-19-11-15(16(21-12)20-10-14-6-4-8-24-14)17(23)22(2)13-5-3-7-18-9-13/h4,6,8,11,13,18H,3,5,7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyUUCKKQCGGNDGNA-UHFFFAOYSA-N
XLogP1.81
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide (CID 134141868) is 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)C2CCCNC2)c(NCc2ccco2)n1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide?
The InChIKey is UUCKKQCGGNDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-19-11-15(16(21-12)20-10-14-6-4-8-24-14)17(23)22(2)13-5-3-7-18-9-13/h4,6,8,11,13,18H,3,5,7,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide?
4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 134141868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).