7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

C16H27N5 — CID 43337019

IUPAC7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CC(C)(C)CN(C)C)c2n1
InChIInChI=1S/C16H27N5/c1-10-11(2)21(9-16(4,5)8-20(6)7)15-13(10)14(17)18-12(3)19-15/h8-9H2,1-7H3,(H2,17,18,19)
InChIKeyVWZXUGQMURJBMQ-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.53
Rot. Bonds4

About 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43337019) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43337019
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CC(C)(C)CN(C)C)c2n1
InChIInChI=1S/C16H27N5/c1-10-11(2)21(9-16(4,5)8-20(6)7)15-13(10)14(17)18-12(3)19-15/h8-9H2,1-7H3,(H2,17,18,19)
InChIKeyVWZXUGQMURJBMQ-UHFFFAOYSA-N
XLogP2.53
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43337019) is 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(CC(C)(C)CN(C)C)c2n1.
What is the InChIKey of 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VWZXUGQMURJBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-10-11(2)21(9-16(4,5)8-20(6)7)15-13(10)14(17)18-12(3)19-15/h8-9H2,1-7H3,(H2,17,18,19).
What are the key properties of 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43337019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).