N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine

C14H22N4 — CID 126585683

IUPACN-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2ccn(C(C)C)c12
InChIInChI=1S/C14H22N4/c1-5-6-8-15-14-13-12(16-11(4)17-14)7-9-18(13)10(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyMWBAZYCADSJZJW-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.53
Rot. Bonds5

About N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine

N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 126585683) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID126585683
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2ccn(C(C)C)c12
InChIInChI=1S/C14H22N4/c1-5-6-8-15-14-13-12(16-11(4)17-14)7-9-18(13)10(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyMWBAZYCADSJZJW-UHFFFAOYSA-N
XLogP3.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585768
N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 126585783
3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 126585719
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
CID 18737835
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
5-benzyl-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 126585687
N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567411
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine (CID 126585683) is N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2ccn(C(C)C)c12.
What is the InChIKey of N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is MWBAZYCADSJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-6-8-15-14-13-12(16-11(4)17-14)7-9-18(13)10(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?
N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 126585683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).