4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile

C11H17N5O — CID 20510210

IUPAC4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
SMILESCCNc1nc(NC(C)C)nc(OC)c1C#N
InChIInChI=1S/C11H17N5O/c1-5-13-9-8(6-12)10(17-4)16-11(15-9)14-7(2)3/h7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyBRSIEEXKOYKHTP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.61
Rot. Bonds5

About 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile

4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile (PubChem CID 20510210) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
PubChem CID20510210
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
SMILESCCNc1nc(NC(C)C)nc(OC)c1C#N
InChIInChI=1S/C11H17N5O/c1-5-13-9-8(6-12)10(17-4)16-11(15-9)14-7(2)3/h7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyBRSIEEXKOYKHTP-UHFFFAOYSA-N
XLogP1.61
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(butylamino)-2-(2-cyanopropan-2-ylamino)-6-methoxypyrimidine-5-carbonitrile
CID 20510252
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 910908
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
CID 2982680
4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510226
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
2-[[5-cyano-4-methoxy-6-(quinolin-6-ylamino)pyrimidin-2-yl]amino]-3-methylbutanamide
CID 77405098
5-chloro-2-(ethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 155040763
2-[cyano-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 658316
4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile
CID 134097040
6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539
2-[[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]butanenitrile
CID 117059331
4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 134097252

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile (CID 20510210) is 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile is CCNc1nc(NC(C)C)nc(OC)c1C#N.
What is the InChIKey of 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is BRSIEEXKOYKHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-13-9-8(6-12)10(17-4)16-11(15-9)14-7(2)3/h7H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 20510210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).