N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine

C13H18ClN5 — CID 55163508

IUPACN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1nc(Cl)c2cnn(C)c2n1)C1CC1
InChIInChI=1S/C13H18ClN5/c1-3-6-19(9-4-5-9)8-11-16-12(14)10-7-15-18(2)13(10)17-11/h7,9H,3-6,8H2,1-2H3
InChIKeyAUYTVIDQNMNROS-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.39
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine (PubChem CID 55163508) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine
PubChem CID55163508
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1nc(Cl)c2cnn(C)c2n1)C1CC1
InChIInChI=1S/C13H18ClN5/c1-3-6-19(9-4-5-9)8-11-16-12(14)10-7-15-18(2)13(10)17-11/h7,9H,3-6,8H2,1-2H3
InChIKeyAUYTVIDQNMNROS-UHFFFAOYSA-N
XLogP2.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine (CID 55163508) is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine is CCCN(Cc1nc(Cl)c2cnn(C)c2n1)C1CC1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine?
The InChIKey is AUYTVIDQNMNROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-6-19(9-4-5-9)8-11-16-12(14)10-7-15-18(2)13(10)17-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine?
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine has a molecular weight of 279.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 55163508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).