2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide

C14H25N5O — CID 106347461

IUPAC2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1ncnc(NC(C(N)=O)C(C)C)c1C(C)C
InChIInChI=1S/C14H25N5O/c1-6-16-13-10(8(2)3)14(18-7-17-13)19-11(9(4)5)12(15)20/h7-9,11H,6H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyUYQZUXWBDMBMDI-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.95
Rot. Bonds7

About 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide

2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106347461) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106347461
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1ncnc(NC(C(N)=O)C(C)C)c1C(C)C
InChIInChI=1S/C14H25N5O/c1-6-16-13-10(8(2)3)14(18-7-17-13)19-11(9(4)5)12(15)20/h7-9,11H,6H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyUYQZUXWBDMBMDI-UHFFFAOYSA-N
XLogP1.95
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide (CID 106347461) is 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide is CCNc1ncnc(NC(C(N)=O)C(C)C)c1C(C)C.
What is the InChIKey of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is UYQZUXWBDMBMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-16-13-10(8(2)3)14(18-7-17-13)19-11(9(4)5)12(15)20/h7-9,11H,6H2,1-5H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide?
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 279.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106347461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).