4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 136870773

IUPAC4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)(C)C2CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-11(2,7-4-5-7)14-9-8(16-3)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyIZNYRHTUXPWRNJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.38
Rot. Bonds4

About 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one

4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136870773) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136870773
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)(C)C2CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-11(2,7-4-5-7)14-9-8(16-3)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyIZNYRHTUXPWRNJ-UHFFFAOYSA-N
XLogP1.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736698
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671885
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805352
4-[(1-amino-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136848624
5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852210
4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136852221

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136870773) is 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(C)(C)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IZNYRHTUXPWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,7-4-5-7)14-9-8(16-3)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136870773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).