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

C15H26N4O — CID 80957698

IUPAC1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CCC(O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-7-16-12-9-13(19-8-6-11(20)10-19)18-14(17-12)15(2,3)4/h9,11,20H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyJUIFATFJSWEZNA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.17
Rot. Bonds4

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

1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 80957698) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID80957698
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CCC(O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-7-16-12-9-13(19-8-6-11(20)10-19)18-14(17-12)15(2,3)4/h9,11,20H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyJUIFATFJSWEZNA-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106770296
1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957543
1-[6-(propylamino)-2-pyridinyl]pyrrolidin-3-ol
CID 80823342
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106773424
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102971936
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770258

Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 80957698) is 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCCNc1cc(N2CCC(O)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is JUIFATFJSWEZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-7-16-12-9-13(19-8-6-11(20)10-19)18-14(17-12)15(2,3)4/h9,11,20H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 278.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 80957698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).