N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine

C13H21N3O2 — CID 113292957

IUPACN-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
SMILESCCC(CC1CC1)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H21N3O2/c1-4-10(7-9-5-6-9)14-13-15-11(17-2)8-12(16-13)18-3/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyRDVOSXIQMDWSHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.48
Rot. Bonds7

About N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine

N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 113292957) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID113292957
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
SMILESCCC(CC1CC1)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H21N3O2/c1-4-10(7-9-5-6-9)14-13-15-11(17-2)8-12(16-13)18-3/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyRDVOSXIQMDWSHZ-UHFFFAOYSA-N
XLogP2.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
CID 66324981
N-(1-cyclopropylbutan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491506
N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637766
4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 115899319
2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80836368
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
CID 79556553
2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80838419
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 107625783
N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine
CID 63996165
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine (CID 113292957) is N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine is CCC(CC1CC1)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is RDVOSXIQMDWSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-10(7-9-5-6-9)14-13-15-11(17-2)8-12(16-13)18-3/h8-10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine?
N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 113292957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).