4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one

C11H20N4O3 — CID 136857367

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(O)CN(C)C)nc[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-11(17,6-15(2)3)5-12-9-8(18-4)10(16)14-7-13-9/h7,17H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyCIEUAPPSJWMFIP-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.50
Rot. Bonds6

About 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136857367) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136857367
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(O)CN(C)C)nc[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-11(17,6-15(2)3)5-12-9-8(18-4)10(16)14-7-13-9/h7,17H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyCIEUAPPSJWMFIP-UHFFFAOYSA-N
XLogP-0.50
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one (CID 136857367) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC(C)(O)CN(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is CIEUAPPSJWMFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(17,6-15(2)3)5-12-9-8(18-4)10(16)14-7-13-9/h7,17H,5-6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136857367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).