N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C9H10N4 — CID 76848839

IUPACN-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2[nH]ccc12
InChIInChI=1S/C9H10N4/c1-2-4-10-8-7-3-5-11-9(7)13-6-12-8/h2-3,5-6H,1,4H2,(H2,10,11,12,13)
InChIKeyKSRKOYHYVMRUII-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.56
Rot. Bonds3

About N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 76848839) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID76848839
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC NameN-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2[nH]ccc12
InChIInChI=1S/C9H10N4/c1-2-4-10-8-7-3-5-11-9(7)13-6-12-8/h2-3,5-6H,1,4H2,(H2,10,11,12,13)
InChIKeyKSRKOYHYVMRUII-UHFFFAOYSA-N
XLogP1.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
4-(prop-2-enylamino)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 90030871
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081
N-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080878
4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 142574981
N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171679362
2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl N-methylcarbamate
CID 164941122
N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174669328
1-N-prop-2-enylisoquinoline-1,5-diamine
CID 82570222
4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540214
N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151798997

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 76848839) is N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C=CCNc1ncnc2[nH]ccc12.
What is the InChIKey of N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KSRKOYHYVMRUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-4-10-8-7-3-5-11-9(7)13-6-12-8/h2-3,5-6H,1,4H2,(H2,10,11,12,13).
What are the key properties of N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 174.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 76848839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).