N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine

C9H15N5 — CID 83830462

IUPACN'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
SMILESCN1Cc2cnc(NCCN)nc2C1
InChIInChI=1S/C9H15N5/c1-14-5-7-4-12-9(11-3-2-10)13-8(7)6-14/h4H,2-3,5-6,10H2,1H3,(H,11,12,13)
InChIKeyKJKPPPLLHLLLIC-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.21
Rot. Bonds3

About N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine

N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 83830462) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
PubChem CID83830462
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
SMILESCN1Cc2cnc(NCCN)nc2C1
InChIInChI=1S/C9H15N5/c1-14-5-7-4-12-9(11-3-2-10)13-8(7)6-14/h4H,2-3,5-6,10H2,1H3,(H,11,12,13)
InChIKeyKJKPPPLLHLLLIC-UHFFFAOYSA-N
XLogP-0.21
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83838681
N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 106821023
N'-(4,6-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 83833883
N'-(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)ethane-1,2-diamine
CID 83833578
N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 53215343
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine
CID 59679334
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
CID 103278870
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83833878
N'-[4-(azepan-1-yl)-5-bromopyrimidin-2-yl]ethane-1,2-diamine;dihydrochloride
CID 66903553
2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane
CID 145047492

Frequently Asked Questions

What is the IUPAC name of N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine (CID 83830462) is N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine is CN1Cc2cnc(NCCN)nc2C1.
What is the InChIKey of N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is KJKPPPLLHLLLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-14-5-7-4-12-9(11-3-2-10)13-8(7)6-14/h4H,2-3,5-6,10H2,1H3,(H,11,12,13).
What are the key properties of N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine?
N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 193.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83830462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).