4-tert-butylfuro[2,3-d]pyrimidin-5-amine

C10H13N3O — CID 82375391

IUPAC4-tert-butylfuro[2,3-d]pyrimidin-5-amine
SMILESCC(C)(C)c1ncnc2occ(N)c12
InChIInChI=1S/C10H13N3O/c1-10(2,3)8-7-6(11)4-14-9(7)13-5-12-8/h4-5H,11H2,1-3H3
InChIKeySLAQAEQHQHKEFD-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.10
Rot. Bonds

About 4-tert-butylfuro[2,3-d]pyrimidin-5-amine

4-tert-butylfuro[2,3-d]pyrimidin-5-amine (PubChem CID 82375391) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-tert-butylfuro[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4-tert-butylfuro[2,3-d]pyrimidin-5-amine
PubChem CID82375391
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-tert-butylfuro[2,3-d]pyrimidin-5-amine
SMILESCC(C)(C)c1ncnc2occ(N)c12
InChIInChI=1S/C10H13N3O/c1-10(2,3)8-7-6(11)4-14-9(7)13-5-12-8/h4-5H,11H2,1-3H3
InChIKeySLAQAEQHQHKEFD-UHFFFAOYSA-N
XLogP2.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)phenyl]furo[2,3-d]pyrimidin-5-amine
CID 82375396
5,6-ditert-butylpyrimidin-4-amine
CID 59120613
4-(4-fluorophenyl)-5-methylfuro[2,3-b]pyridin-3-amine
CID 82376035
4-tert-butylfuro[3,2-d]pyrimidine
CID 58332108
4,6-ditert-butyl-5-propan-2-ylpyrimidine
CID 59616923
5-tert-butylfuro[2,3-d]pyrimidine;ethane
CID 161160527
6-tert-butyl-5-methanimidoylpyrimidin-4-amine
CID 177078672
4-tert-butyl-5-fluoro-6-methylpyrimidine
CID 91170661
6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 165075826
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 82439289
4-tert-butyl-5,6,7-trimethoxyquinazoline
CID 170974305
N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine
CID 57428969

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylfuro[2,3-d]pyrimidin-5-amine?
The IUPAC name of 4-tert-butylfuro[2,3-d]pyrimidin-5-amine (CID 82375391) is 4-tert-butylfuro[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 4-tert-butylfuro[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 4-tert-butylfuro[2,3-d]pyrimidin-5-amine is CC(C)(C)c1ncnc2occ(N)c12.
What is the InChIKey of 4-tert-butylfuro[2,3-d]pyrimidin-5-amine?
The InChIKey is SLAQAEQHQHKEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)8-7-6(11)4-14-9(7)13-5-12-8/h4-5H,11H2,1-3H3.
What are the key properties of 4-tert-butylfuro[2,3-d]pyrimidin-5-amine?
4-tert-butylfuro[2,3-d]pyrimidin-5-amine has a molecular weight of 191.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylfuro[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 82375391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).