4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H21N3O — CID 135703348

IUPAC4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-15(6-2)8-10-7-11(16)14-12(13-10)9(3)4/h7,9H,5-6,8H2,1-4H3,(H,13,14,16)
InChIKeyUTCQXNBMRANFGW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.74
Rot. Bonds5

About 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135703348) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135703348
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC)Cc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-15(6-2)8-10-7-11(16)14-12(13-10)9(3)4/h7,9H,5-6,8H2,1-4H3,(H,13,14,16)
InChIKeyUTCQXNBMRANFGW-UHFFFAOYSA-N
XLogP1.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-6-methyl-4-pyrimidinol
CID 135444498
2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-Cyclopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135416704
6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
2-(2-aminopropan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136103406
2,6-di(propan-2-yl)pyrimidin-4(3H)-one
CID 135631190
2-(Aminomethyl)-6-methylpyrimidin-4-ol
CID 135714975
2-Cyclopropyl-6-methylpyrimidin-4-ol
CID 135844179
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
6-(1-azepanylmethyl)-2-isopropyl-4(3H)-pyrimidinone
CID 136046577

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 135703348) is 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one is CCN(CC)Cc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UTCQXNBMRANFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-15(6-2)8-10-7-11(16)14-12(13-10)9(3)4/h7,9H,5-6,8H2,1-4H3,(H,13,14,16).
What are the key properties of 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135703348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).