1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one

C15H26N4O2 — CID 175068918

IUPAC1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one
SMILESCCC(C)C(NOC(C)(C)C)C(=O)c1ccnc(CN)n1
InChIInChI=1S/C15H26N4O2/c1-6-10(2)13(19-21-15(3,4)5)14(20)11-7-8-17-12(9-16)18-11/h7-8,10,13,19H,6,9,16H2,1-5H3
InChIKeyVSCGJAFJIROTEX-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.85
Rot. Bonds7

About 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one

1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one (PubChem CID 175068918) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one
PubChem CID175068918
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one
SMILESCCC(C)C(NOC(C)(C)C)C(=O)c1ccnc(CN)n1
InChIInChI=1S/C15H26N4O2/c1-6-10(2)13(19-21-15(3,4)5)14(20)11-7-8-17-12(9-16)18-11/h7-8,10,13,19H,6,9,16H2,1-5H3
InChIKeyVSCGJAFJIROTEX-UHFFFAOYSA-N
XLogP1.85
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-(pentylamino)butan-1-one
CID 175314076
2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one
CID 174876938
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
CID 114326241
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
N-[3-[[(2S)-1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 141465061
tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
CID 75390054
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
ethyl 3-methyl-2-(2-methylpyrimidine-4-carbonyl)butanoate
CID 113329644
tert-butyl 2-methyl-3-(4-methyl-2-pyridinyl)-3-oxopropanoate
CID 66337615
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
ethyl 2-(propylsulfanylmethyl)pyrimidine-4-carboxylate
CID 165444496
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one?
The IUPAC name of 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one (CID 175068918) is 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one is CCC(C)C(NOC(C)(C)C)C(=O)c1ccnc(CN)n1.
What is the InChIKey of 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one?
The InChIKey is VSCGJAFJIROTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-10(2)13(19-21-15(3,4)5)14(20)11-7-8-17-12(9-16)18-11/h7-8,10,13,19H,6,9,16H2,1-5H3.
What are the key properties of 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one?
1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one has a molecular weight of 294.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one is sourced from PubChem (CID 175068918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).