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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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).