N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C19H31N5 — CID 4975837

IUPACN-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(NC3CCCCC3)c12
InChIInChI=1S/C19H31N5/c1-14-15(2)24(12-8-11-23(3)4)19-17(14)18(20-13-21-19)22-16-9-6-5-7-10-16/h13,16H,5-12H2,1-4H3,(H,20,21,22)
InChIKeyOHRHJQXHIWOGAW-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.74
Rot. Bonds6

About N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4975837) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4975837
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC NameN-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(NC3CCCCC3)c12
InChIInChI=1S/C19H31N5/c1-14-15(2)24(12-8-11-23(3)4)19-17(14)18(20-13-21-19)22-16-9-6-5-7-10-16/h13,16H,5-12H2,1-4H3,(H,20,21,22)
InChIKeyOHRHJQXHIWOGAW-UHFFFAOYSA-N
XLogP3.74
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4975837) is N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CCCN(C)C)c2ncnc(NC3CCCCC3)c12.
What is the InChIKey of N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OHRHJQXHIWOGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-14-15(2)24(12-8-11-23(3)4)19-17(14)18(20-13-21-19)22-16-9-6-5-7-10-16/h13,16H,5-12H2,1-4H3,(H,20,21,22).
What are the key properties of N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 329.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4975837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).