N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide

C15H24N4O2 — CID 91790847

IUPACN-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
SMILESCc1nc(NCCNC(=O)C(C)C)cc(C2CC(O)C2)n1
InChIInChI=1S/C15H24N4O2/c1-9(2)15(21)17-5-4-16-14-8-13(18-10(3)19-14)11-6-12(20)7-11/h8-9,11-12,20H,4-7H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyQYDXXAKOPIIULW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds6

About N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide

N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide (PubChem CID 91790847) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
PubChem CID91790847
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
SMILESCc1nc(NCCNC(=O)C(C)C)cc(C2CC(O)C2)n1
InChIInChI=1S/C15H24N4O2/c1-9(2)15(21)17-5-4-16-14-8-13(18-10(3)19-14)11-6-12(20)7-11/h8-9,11-12,20H,4-7H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyQYDXXAKOPIIULW-UHFFFAOYSA-N
XLogP1.21
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.21
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)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide (CID 91790847) is N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide is Cc1nc(NCCNC(=O)C(C)C)cc(C2CC(O)C2)n1.
What is the InChIKey of N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide?
The InChIKey is QYDXXAKOPIIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(2)15(21)17-5-4-16-14-8-13(18-10(3)19-14)11-6-12(20)7-11/h8-9,11-12,20H,4-7H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide?
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.21, 6 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)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 91790847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).