3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

C15H25N5O — CID 106280526

IUPAC3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCCNc1cc(NCC(C)(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C15H25N5O/c1-4-7-17-11-8-12(18-9-15(2,3)14(16)21)20-13(19-11)10-5-6-10/h8,10H,4-7,9H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyREWMKQMYOAZPAH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.10
Rot. Bonds8

About 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106280526) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID106280526
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCCNc1cc(NCC(C)(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C15H25N5O/c1-4-7-17-11-8-12(18-9-15(2,3)14(16)21)20-13(19-11)10-5-6-10/h8,10H,4-7,9H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyREWMKQMYOAZPAH-UHFFFAOYSA-N
XLogP2.10
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (CID 106280526) is 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is CCCNc1cc(NCC(C)(C)C(N)=O)nc(C2CC2)n1.
What is the InChIKey of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is REWMKQMYOAZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-7-17-11-8-12(18-9-15(2,3)14(16)21)20-13(19-11)10-5-6-10/h8,10H,4-7,9H2,1-3H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).