7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine

C15H22N4O — CID 167928357

IUPAC7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)OCCCNc1ncnc2c1ccn2C1CC1
InChIInChI=1S/C15H22N4O/c1-11(2)20-9-3-7-16-14-13-6-8-19(12-4-5-12)15(13)18-10-17-14/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,16,17,18)
InChIKeyHDWCLKNXBUJLCD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.99
Rot. Bonds7

About 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167928357) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167928357
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)OCCCNc1ncnc2c1ccn2C1CC1
InChIInChI=1S/C15H22N4O/c1-11(2)20-9-3-7-16-14-13-6-8-19(12-4-5-12)15(13)18-10-17-14/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,16,17,18)
InChIKeyHDWCLKNXBUJLCD-UHFFFAOYSA-N
XLogP2.99
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(3-propan-2-yloxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430251
8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine
CID 110431549
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
5-bromo-6-N-ethyl-4-N-(4-propan-2-yloxybutyl)pyrimidine-4,6-diamine
CID 106014624
9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
6-hydrazinyl-5-methoxy-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767453
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
9-methyl-4-(3-propan-2-yloxypropylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134788794
4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol
CID 167462105
7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
CID 154947058

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 167928357) is 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)OCCCNc1ncnc2c1ccn2C1CC1.
What is the InChIKey of 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HDWCLKNXBUJLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)20-9-3-7-16-14-13-6-8-19(12-4-5-12)15(13)18-10-17-14/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167928357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).