6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C10H12N4 — CID 130978964

IUPAC6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2cc(C)[nH]c12
InChIInChI=1S/C10H12N4/c1-3-4-11-10-9-8(12-6-13-10)5-7(2)14-9/h3,5-6,14H,1,4H2,2H3,(H,11,12,13)
InChIKeyHKCPWFLBGDDVCD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.86
Rot. Bonds3

About 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine

6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 130978964) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID130978964
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2cc(C)[nH]c12
InChIInChI=1S/C10H12N4/c1-3-4-11-10-9-8(12-6-13-10)5-7(2)14-9/h3,5-6,14H,1,4H2,2H3,(H,11,12,13)
InChIKeyHKCPWFLBGDDVCD-UHFFFAOYSA-N
XLogP1.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.86
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

4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540214
2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 131113927
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 76847213
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 90136224
2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930873
5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831874
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430242
4-N-(5-chloro-2-methylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854987

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 130978964) is 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine is C=CCNc1ncnc2cc(C)[nH]c12.
What is the InChIKey of 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is HKCPWFLBGDDVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-3-4-11-10-9-8(12-6-13-10)5-7(2)14-9/h3,5-6,14H,1,4H2,2H3,(H,11,12,13).
What are the key properties of 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 130978964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).