N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

C14H20N4 — CID 21039989

IUPACN-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2cnc(NC3CCCC3)nc2n1C
InChIInChI=1S/C14H20N4/c1-3-12-8-10-9-15-14(17-13(10)18(12)2)16-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHCCKJFISYFBLHR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.89
Rot. Bonds3

About N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 21039989) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID21039989
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2cnc(NC3CCCC3)nc2n1C
InChIInChI=1S/C14H20N4/c1-3-12-8-10-9-15-14(17-13(10)18(12)2)16-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHCCKJFISYFBLHR-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
6-[(2-fluorophenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 158916337
8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one
CID 23434577
8-methyl-6-(2-methylphenyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162333954
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 23434573
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 46188425
8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 142118141
8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162321776

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (CID 21039989) is N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is CCc1cc2cnc(NC3CCCC3)nc2n1C.
What is the InChIKey of N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is HCCKJFISYFBLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-12-8-10-9-15-14(17-13(10)18(12)2)16-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 21039989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).