(2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine

C19H23N9 — CID 122591727

IUPAC(2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCCN(C[C@@H](C)N(C)c1cnc(-n2ccnc2)cn1)c1ncnc2[nH]ccc12
InChIInChI=1S/C19H23N9/c1-4-27(19-15-5-6-21-18(15)24-12-25-19)11-14(2)26(3)16-9-23-17(10-22-16)28-8-7-20-13-28/h5-10,12-14H,4,11H2,1-3H3,(H,21,24,25)/t14-/m1/s1
InChIKeyYGEHXOYGQDJEAM-CQSZACIVSA-N
MW377.46 g/mol
LogP2.28
Rot. Bonds7

About (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine

(2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 122591727) has the molecular formula C19H23N9 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID122591727
Molecular FormulaC19H23N9
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name(2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCCN(C[C@@H](C)N(C)c1cnc(-n2ccnc2)cn1)c1ncnc2[nH]ccc12
InChIInChI=1S/C19H23N9/c1-4-27(19-15-5-6-21-18(15)24-12-25-19)11-14(2)26(3)16-9-23-17(10-22-16)28-8-7-20-13-28/h5-10,12-14H,4,11H2,1-3H3,(H,21,24,25)/t14-/m1/s1
InChIKeyYGEHXOYGQDJEAM-CQSZACIVSA-N
XLogP2.28
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

PF-956980
CID 53344620
6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
2-N-((1S)-1-(5-Fluoropyrimidin-2-yl)ethyl)-4-N-(1-methylimidazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 45275255
2-Methyl-1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339437
rac-1-((3aR,7aR)-1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)hexahydro-1H-pyrrolo[2,3-c]pyridin-6(2H)-yl)prop-2-en-1-one
CID 118115537
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
5-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 24971381
(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Amine
CID 45480169
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9859224

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine (CID 122591727) is (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine is CCN(C[C@@H](C)N(C)c1cnc(-n2ccnc2)cn1)c1ncnc2[nH]ccc12.
What is the InChIKey of (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is YGEHXOYGQDJEAM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N9/c1-4-27(19-15-5-6-21-18(15)24-12-25-19)11-14(2)26(3)16-9-23-17(10-22-16)28-8-7-20-13-28/h5-10,12-14H,4,11H2,1-3H3,(H,21,24,25)/t14-/m1/s1.
What are the key properties of (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine?
(2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 377.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 122591727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).