5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one

C15H24N4O2 — CID 143871202

IUPAC5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(N[C@@H]2CCO[C@H](C)C2)nc(CC(C)C)[nH]c1=O
InChIInChI=1S/C15H24N4O2/c1-9(2)6-13-18-14(12(8-16)15(20)19-13)17-11-4-5-21-10(3)7-11/h8-11,16H,4-7H2,1-3H3,(H2,17,18,19,20)/b16-8+/t10-,11-/m1/s1
InChIKeyIKMQSWMYVMLEFY-YAGJMYGCSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds5

About 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one

5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 143871202) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID143871202
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(N[C@@H]2CCO[C@H](C)C2)nc(CC(C)C)[nH]c1=O
InChIInChI=1S/C15H24N4O2/c1-9(2)6-13-18-14(12(8-16)15(20)19-13)17-11-4-5-21-10(3)7-11/h8-11,16H,4-7H2,1-3H3,(H2,17,18,19,20)/b16-8+/t10-,11-/m1/s1
InChIKeyIKMQSWMYVMLEFY-YAGJMYGCSA-N
XLogP1.95
TPSA90.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one (CID 143871202) is 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one is [H]/N=C/c1c(N[C@@H]2CCO[C@H](C)C2)nc(CC(C)C)[nH]c1=O.
What is the InChIKey of 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is IKMQSWMYVMLEFY-YAGJMYGCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(2)6-13-18-14(12(8-16)15(20)19-13)17-11-4-5-21-10(3)7-11/h8-11,16H,4-7H2,1-3H3,(H2,17,18,19,20)/b16-8+/t10-,11-/m1/s1.
What are the key properties of 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one?
5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 292.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 143871202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).