N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine

C16H21N5 — CID 53192920

IUPACN',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C16H21N5/c1-21(2)11-10-18-16-13-4-3-5-14(13)19-15(20-16)12-6-8-17-9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,20)
InChIKeySEYGGZZZMJPHCB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.00
Rot. Bonds5

About N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 53192920) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID53192920
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C16H21N5/c1-21(2)11-10-18-16-13-4-3-5-14(13)19-15(20-16)12-6-8-17-9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,20)
InChIKeySEYGGZZZMJPHCB-UHFFFAOYSA-N
XLogP2.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine (CID 53192920) is N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine is CN(C)CCNc1nc(-c2ccncc2)nc2c1CCC2.
What is the InChIKey of N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is SEYGGZZZMJPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-21(2)11-10-18-16-13-4-3-5-14(13)19-15(20-16)12-6-8-17-9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 53192920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).