7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine

C15H23N5O — CID 178155543

IUPAC7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN(C)COCc1cc2cnc(N)nc2n1C1CCCC1
InChIInChI=1S/C15H23N5O/c1-19(2)10-21-9-13-7-11-8-17-15(16)18-14(11)20(13)12-5-3-4-6-12/h7-8,12H,3-6,9-10H2,1-2H3,(H2,16,17,18)
InChIKeySDFSLFXUUOMNAK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds5

About 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 178155543) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID178155543
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN(C)COCc1cc2cnc(N)nc2n1C1CCCC1
InChIInChI=1S/C15H23N5O/c1-19(2)10-21-9-13-7-11-8-17-15(16)18-14(11)20(13)12-5-3-4-6-12/h7-8,12H,3-6,9-10H2,1-2H3,(H2,16,17,18)
InChIKeySDFSLFXUUOMNAK-UHFFFAOYSA-N
XLogP2.16
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate
CID 171661364
(E)-1-[4-[6-[[7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-ene-1,4-dione;molecular hydrogen
CID 171527729
2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 84819779
5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine
CID 143829611
8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11151391
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
CID 11348177
(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
CID 11439492
6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 11703006
7-cyclopentyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 58299552
6-amino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132986
6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329815

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 178155543) is 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine is CN(C)COCc1cc2cnc(N)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is SDFSLFXUUOMNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19(2)10-21-9-13-7-11-8-17-15(16)18-14(11)20(13)12-5-3-4-6-12/h7-8,12H,3-6,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 178155543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).