3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol

C14H24F2N4O — CID 106179363

IUPAC3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCCNc1cc(NCC(F)(F)CO)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24F2N4O/c1-5-6-17-10-7-11(18-8-14(15,16)9-21)20-12(19-10)13(2,3)4/h7,21H,5-6,8-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyRAQZUHKTTXGVAS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.64
Rot. Bonds7

About 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106179363) has the molecular formula C14H24F2N4O and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID106179363
Molecular FormulaC14H24F2N4O
Molecular Weight302.37 g/mol
Exact Mass302.19
IUPAC Name3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCCNc1cc(NCC(F)(F)CO)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24F2N4O/c1-5-6-17-10-7-11(18-8-14(15,16)9-21)20-12(19-10)13(2,3)4/h7,21H,5-6,8-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyRAQZUHKTTXGVAS-UHFFFAOYSA-N
XLogP2.64
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80960937
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780616
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (CID 106179363) is 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is CCCNc1cc(NCC(F)(F)CO)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is RAQZUHKTTXGVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4O/c1-5-6-17-10-7-11(18-8-14(15,16)9-21)20-12(19-10)13(2,3)4/h7,21H,5-6,8-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 302.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).