5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C9H16N4O2 — CID 136976937

IUPAC5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOC(C)(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-9(2,15-3)4-11-7-6(10)8(14)13-5-12-7/h5H,4,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyVZLUCGCRMJDDMY-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.19
Rot. Bonds4

About 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976937) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136976937
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOC(C)(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-9(2,15-3)4-11-7-6(10)8(14)13-5-12-7/h5H,4,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyVZLUCGCRMJDDMY-UHFFFAOYSA-N
XLogP0.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696645
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764966
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013
5-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825660
5-amino-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852191
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870578

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136976937) is 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is COC(C)(C)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VZLUCGCRMJDDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,15-3)4-11-7-6(10)8(14)13-5-12-7/h5H,4,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).