3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide

C14H25N5O2 — CID 106178955

IUPAC3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
SMILESCCCNc1cc(NCC(O)C(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-5-6-16-10-7-11(17-8-9(20)12(15)21)19-13(18-10)14(2,3)4/h7,9,20H,5-6,8H2,1-4H3,(H2,15,21)(H2,16,17,18,19)
InChIKeyJHYBZBZBHAMXRY-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.85
Rot. Bonds7

About 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide (PubChem CID 106178955) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
PubChem CID106178955
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
SMILESCCCNc1cc(NCC(O)C(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-5-6-16-10-7-11(17-8-9(20)12(15)21)19-13(18-10)14(2,3)4/h7,9,20H,5-6,8H2,1-4H3,(H2,15,21)(H2,16,17,18,19)
InChIKeyJHYBZBZBHAMXRY-UHFFFAOYSA-N
XLogP0.85
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80960937
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178721

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide (CID 106178955) is 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide is CCCNc1cc(NCC(O)C(N)=O)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
The InChIKey is JHYBZBZBHAMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-6-16-10-7-11(17-8-9(20)12(15)21)19-13(18-10)14(2,3)4/h7,9,20H,5-6,8H2,1-4H3,(H2,15,21)(H2,16,17,18,19).
What are the key properties of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide has a molecular weight of 295.39 g/mol, XLogP of 0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106178955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).