1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine

C14H21N3 — CID 158891597

IUPAC1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine
SMILESCc1nc(C)n2c(C(C)C)c(C)c(C)c2c1N
InChIInChI=1S/C14H21N3/c1-7(2)13-8(3)9(4)14-12(15)10(5)16-11(6)17(13)14/h7H,15H2,1-6H3
InChIKeyHJYUCZDHIDBGCN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.27
Rot. Bonds1

About 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine

1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine (PubChem CID 158891597) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine
PubChem CID158891597
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine
SMILESCc1nc(C)n2c(C(C)C)c(C)c(C)c2c1N
InChIInChI=1S/C14H21N3/c1-7(2)13-8(3)9(4)14-12(15)10(5)16-11(6)17(13)14/h7H,15H2,1-6H3
InChIKeyHJYUCZDHIDBGCN-UHFFFAOYSA-N
XLogP3.27
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine?
The IUPAC name of 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine (CID 158891597) is 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine.
What is the SMILES notation for 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine?
The canonical SMILES for 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine is Cc1nc(C)n2c(C(C)C)c(C)c(C)c2c1N.
What is the InChIKey of 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine?
The InChIKey is HJYUCZDHIDBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-7(2)13-8(3)9(4)14-12(15)10(5)16-11(6)17(13)14/h7H,15H2,1-6H3.
What are the key properties of 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine?
1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine is sourced from PubChem (CID 158891597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).