5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 114206324

IUPAC5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1ncc(CNC2CC2)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-4-13(2,18-3)12-15-8-9(11(17)16-12)7-14-10-5-6-10/h8,10,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyJRCWDLVZWRWXDK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.29
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one

5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (PubChem CID 114206324) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
PubChem CID114206324
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1ncc(CNC2CC2)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-4-13(2,18-3)12-15-8-9(11(17)16-12)7-14-10-5-6-10/h8,10,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyJRCWDLVZWRWXDK-UHFFFAOYSA-N
XLogP1.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 116782622
5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one
CID 114206328
5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 114206320
N-[[6-methyl-4-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253556
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136964065
5-bromo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202712
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777911
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136983389
2-(2-methoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476455
N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65093739
N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 114199199

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (CID 114206324) is 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is CCC(C)(OC)c1ncc(CNC2CC2)c(=O)[nH]1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is JRCWDLVZWRWXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(2,18-3)12-15-8-9(11(17)16-12)7-14-10-5-6-10/h8,10,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).