N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide

C14H23N5O3 — CID 167160612

IUPACN-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide
SMILESCN1CCC(O)(Cn2cnc(NCCNC=O)cc2=O)CC1
InChIInChI=1S/C14H23N5O3/c1-18-6-2-14(22,3-7-18)9-19-10-17-12(8-13(19)21)16-5-4-15-11-20/h8,10-11,16,22H,2-7,9H2,1H3,(H,15,20)
InChIKeyHDPISKLTCHIQHK-UHFFFAOYSA-N
MW309.37 g/mol
LogP-1.14
Rot. Bonds7

About N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide

N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide (PubChem CID 167160612) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide
PubChem CID167160612
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide
SMILESCN1CCC(O)(Cn2cnc(NCCNC=O)cc2=O)CC1
InChIInChI=1S/C14H23N5O3/c1-18-6-2-14(22,3-7-18)9-19-10-17-12(8-13(19)21)16-5-4-15-11-20/h8,10-11,16,22H,2-7,9H2,1H3,(H,15,20)
InChIKeyHDPISKLTCHIQHK-UHFFFAOYSA-N
XLogP-1.14
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide?
The IUPAC name of N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide (CID 167160612) is N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide.
What is the SMILES notation for N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide?
The canonical SMILES for N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide is CN1CCC(O)(Cn2cnc(NCCNC=O)cc2=O)CC1.
What is the InChIKey of N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide?
The InChIKey is HDPISKLTCHIQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-18-6-2-14(22,3-7-18)9-19-10-17-12(8-13(19)21)16-5-4-15-11-20/h8,10-11,16,22H,2-7,9H2,1H3,(H,15,20).
What are the key properties of N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide?
N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide has a molecular weight of 309.37 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide is sourced from PubChem (CID 167160612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).