4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane

C12H22N4O — CID 155698940

IUPAC4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane
SMILESC=Nc1c(N(C)C(C)(C)C)nc[nH]c1=O.CC
InChIInChI=1S/C10H16N4O.C2H6/c1-10(2,3)14(5)8-7(11-4)9(15)13-6-12-8;1-2/h6H,4H2,1-3,5H3,(H,12,13,15);1-2H3
InChIKeyFENJYEPACKUCAP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.36
Rot. Bonds2

About 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane

4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane (PubChem CID 155698940) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane
PubChem CID155698940
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane
SMILESC=Nc1c(N(C)C(C)(C)C)nc[nH]c1=O.CC
InChIInChI=1S/C10H16N4O.C2H6/c1-10(2,3)14(5)8-7(11-4)9(15)13-6-12-8;1-2/h6H,4H2,1-3,5H3,(H,12,13,15);1-2H3
InChIKeyFENJYEPACKUCAP-UHFFFAOYSA-N
XLogP2.36
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Amino-4-hydroxy-6-(methylamino)pyrimidine
CID 135500477
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-dimethylamino-6-hydroxy-
CID 136343852
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009211
5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009245
5-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009784
5-amino-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009954
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135442228
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride
CID 135689386

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane?
The IUPAC name of 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane (CID 155698940) is 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane is C=Nc1c(N(C)C(C)(C)C)nc[nH]c1=O.CC.
What is the InChIKey of 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane?
The InChIKey is FENJYEPACKUCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.C2H6/c1-10(2,3)14(5)8-7(11-4)9(15)13-6-12-8;1-2/h6H,4H2,1-3,5H3,(H,12,13,15);1-2H3.
What are the key properties of 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane?
4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane has a molecular weight of 238.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane is sourced from PubChem (CID 155698940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).