N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H16N6 — CID 50968501

IUPACN-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1n[nH]c2c1CCC2)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H16N6/c1-20(7-12-9-3-2-4-11(9)18-19-12)14-10-5-6-15-13(10)16-8-17-14/h5-6,8H,2-4,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyVFCDNIWZPBCPLN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50968501) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50968501
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1n[nH]c2c1CCC2)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H16N6/c1-20(7-12-9-3-2-4-11(9)18-19-12)14-10-5-6-15-13(10)16-8-17-14/h5-6,8H,2-4,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyVFCDNIWZPBCPLN-UHFFFAOYSA-N
XLogP1.81
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 154920827
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexane-1-carboxamide
CID 170510670
N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
CID 74233572
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150826942
1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
CID 139013756
N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91777997
N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50976350
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 95135617
N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875032

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 50968501) is N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(Cc1n[nH]c2c1CCC2)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VFCDNIWZPBCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20(7-12-9-3-2-4-11(9)18-19-12)14-10-5-6-15-13(10)16-8-17-14/h5-6,8H,2-4,7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50968501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).