N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide

C15H23N3O2 — CID 91774642

IUPACN-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC(CC)C1CC(O)C1
InChIInChI=1S/C15H23N3O2/c1-3-5-14-12(8-16-9-17-14)15(20)18-13(4-2)10-6-11(19)7-10/h8-11,13,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyMVUWPDWFPCHAEN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide

N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 91774642) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide
PubChem CID91774642
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC(CC)C1CC(O)C1
InChIInChI=1S/C15H23N3O2/c1-3-5-14-12(8-16-9-17-14)15(20)18-13(4-2)10-6-11(19)7-10/h8-11,13,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyMVUWPDWFPCHAEN-UHFFFAOYSA-N
XLogP1.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide (CID 91774642) is N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NC(CC)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is MVUWPDWFPCHAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-14-12(8-16-9-17-14)15(20)18-13(4-2)10-6-11(19)7-10/h8-11,13,19H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide?
N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 91774642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).