N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide

C12H18N4O2 — CID 91786630

IUPACN-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C12H18N4O2/c1-8(17)13-2-3-14-12-6-11(15-7-16-12)9-4-10(18)5-9/h6-7,9-10,18H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyJRWVMMGGDSVKGO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.26
Rot. Bonds5

About N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 91786630) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID91786630
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C12H18N4O2/c1-8(17)13-2-3-14-12-6-11(15-7-16-12)9-4-10(18)5-9/h6-7,9-10,18H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyJRWVMMGGDSVKGO-UHFFFAOYSA-N
XLogP0.26
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 91786630) is N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(C2CC(O)C2)ncn1.
What is the InChIKey of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is JRWVMMGGDSVKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(17)13-2-3-14-12-6-11(15-7-16-12)9-4-10(18)5-9/h6-7,9-10,18H,2-5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 91786630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).