N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide

C15H23N5O3 — CID 135862822

IUPACN-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O3/c1-3-12(21)16-8-6-4-5-7-9-17-15(23)20-14-18-11(2)10-13(22)19-14/h3,10H,1,4-9H2,2H3,(H,16,21)(H3,17,18,19,20,22,23)
InChIKeyMYHVUNLMHJISIX-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.06
Rot. Bonds9

About N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide

N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide (PubChem CID 135862822) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide
PubChem CID135862822
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O3/c1-3-12(21)16-8-6-4-5-7-9-17-15(23)20-14-18-11(2)10-13(22)19-14/h3,10H,1,4-9H2,2H3,(H,16,21)(H3,17,18,19,20,22,23)
InChIKeyMYHVUNLMHJISIX-UHFFFAOYSA-N
XLogP1.06
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide?
The IUPAC name of N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide (CID 135862822) is N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide.
What is the SMILES notation for N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide?
The canonical SMILES for N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide is C=CC(=O)NCCCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide?
The InChIKey is MYHVUNLMHJISIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-3-12(21)16-8-6-4-5-7-9-17-15(23)20-14-18-11(2)10-13(22)19-14/h3,10H,1,4-9H2,2H3,(H,16,21)(H3,17,18,19,20,22,23).
What are the key properties of N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide?
N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 1.06, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]prop-2-enamide is sourced from PubChem (CID 135862822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).