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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Related Compounds

4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 163792033
1,4-ditert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(1,4-ditert-butyl-3H-pyrrolo[2,3-b]pyridin-2-one);4,7-ditert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158200591
6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 82417454
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389
5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine
CID 114072184
5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106811990
7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69270539
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
CID 58845167
6-piperidin-1-ylpyrimidine-4,5-diamine
CID 786539
7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 158526538
5,6,7,8-tetrahydroquinazolin-4-amine
CID 45079028

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).