N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C22H30N4 — CID 10665582

IUPACN-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N4/c1-8-9-10-23-21-19-16(5)17(6)26(22(19)25-18(7)24-21)20-14(3)11-13(2)12-15(20)4/h11-12H,8-10H2,1-7H3,(H,23,24,25)
InChIKeyYSRDKCMEEQUANM-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.48
Rot. Bonds5

About N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10665582) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10665582
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N4/c1-8-9-10-23-21-19-16(5)17(6)26(22(19)25-18(7)24-21)20-14(3)11-13(2)12-15(20)4/h11-12H,8-10H2,1-7H3,(H,23,24,25)
InChIKeyYSRDKCMEEQUANM-UHFFFAOYSA-N
XLogP5.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.48
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

2-methyl-N-[(2-methylphenyl)methyl]-9-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine
CID 70129926
1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one
CID 90909563
(NE)-N-[1-[7-(4-chloro-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propylidene]hydroxylamine
CID 135494234
4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
CID 54233567
N-butyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2176613
3,5,7-trimethyl-N-propylquinolin-2-amine
CID 55224112
N-(cyclopropylmethyl)-2-methyl-N-propyl-9-(2,4,6-trimethylphenyl)pyrimido[4,5-b]indol-4-amine
CID 139821497
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
CID 18737835
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
3-[4-(butylamino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium
CID 7641893
lithium;2-chloro-1-[4-(heptan-4-ylamino)-2,6-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-5-yl]ethanone;deuteriomethanethiol;7-heptan-4-yl-3,10-dimethyl-2-(2,4,6-trimethylphenyl)-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene;hydride
CID 159454445
N-[2-(4-chlorophenyl)ethyl]-9-(2,4-dimethylphenyl)-2-methyl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine
CID 70128637

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 10665582) is N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C.
What is the InChIKey of N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YSRDKCMEEQUANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-8-9-10-23-21-19-16(5)17(6)26(22(19)25-18(7)24-21)20-14(3)11-13(2)12-15(20)4/h11-12H,8-10H2,1-7H3,(H,23,24,25).
What are the key properties of N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 350.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10665582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).