4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one

C11H18N4O2 — CID 136819634

IUPAC4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(CN)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-8-13-9(6-10(16)14-8)15-11(7-12)2-4-17-5-3-11/h6H,2-5,7,12H2,1H3,(H2,13,14,15,16)
InChIKeyUYRHUDJTQOURFW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.00
Rot. Bonds3

About 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one

4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136819634) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136819634
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(CN)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-8-13-9(6-10(16)14-8)15-11(7-12)2-4-17-5-3-11/h6H,2-5,7,12H2,1H3,(H2,13,14,15,16)
InChIKeyUYRHUDJTQOURFW-UHFFFAOYSA-N
XLogP-0.00
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one (CID 136819634) is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2(CN)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UYRHUDJTQOURFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-13-9(6-10(16)14-8)15-11(7-12)2-4-17-5-3-11/h6H,2-5,7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136819634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).