N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

C14H23N5 — CID 110430337

IUPACN-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCc1nc(NCCCCN(C)C)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H23N5/c1-10-9-12-13(15-7-5-6-8-19(3)4)17-11(2)18-14(12)16-10/h9H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyAMRBNHGNQNWSIB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.33
Rot. Bonds6

About N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 110430337) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID110430337
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCc1nc(NCCCCN(C)C)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H23N5/c1-10-9-12-13(15-7-5-6-8-19(3)4)17-11(2)18-14(12)16-10/h9H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyAMRBNHGNQNWSIB-UHFFFAOYSA-N
XLogP2.33
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430260
5-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 110430697
N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430805
4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777376
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430273
2-(3-chlorophenyl)-6-methyl-N-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430988
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
N',N'-diethyl-N-(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 91961243
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (CID 110430337) is N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is Cc1nc(NCCCCN(C)C)c2cc(C)[nH]c2n1.
What is the InChIKey of N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is AMRBNHGNQNWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-9-12-13(15-7-5-6-8-19(3)4)17-11(2)18-14(12)16-10/h9H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 110430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).