7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine

C10H16N4 — CID 146615715

IUPAC7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)N1CCc2c(N)ncnc21
InChIInChI=1S/C10H16N4/c1-10(2,3)14-5-4-7-8(11)12-6-13-9(7)14/h6H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyKEVHNUSMCWIBGG-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.22
Rot. Bonds

About 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine

7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146615715) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146615715
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)N1CCc2c(N)ncnc21
InChIInChI=1S/C10H16N4/c1-10(2,3)14-5-4-7-8(11)12-6-13-9(7)14/h6H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyKEVHNUSMCWIBGG-UHFFFAOYSA-N
XLogP1.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine (CID 146615715) is 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(C)N1CCc2c(N)ncnc21.
What is the InChIKey of 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KEVHNUSMCWIBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-10(2,3)14-5-4-7-8(11)12-6-13-9(7)14/h6H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 192.27 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146615715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).