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

C15H24ClN5 — CID 63220644

IUPACN-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C15H24ClN5/c1-4-6-8-21(9-7-5-2)11-13-18-14(16)12-10-17-20(3)15(12)19-13/h10H,4-9,11H2,1-3H3
InChIKeyDFCXBFJMAFTURI-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.42
Rot. Bonds8

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

N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine (PubChem CID 63220644) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine
PubChem CID63220644
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC NameN-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C15H24ClN5/c1-4-6-8-21(9-7-5-2)11-13-18-14(16)12-10-17-20(3)15(12)19-13/h10H,4-9,11H2,1-3H3
InChIKeyDFCXBFJMAFTURI-UHFFFAOYSA-N
XLogP3.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine (CID 63220644) is N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine is CCCCN(CCCC)Cc1nc(Cl)c2cnn(C)c2n1.
What is the InChIKey of N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine?
The InChIKey is DFCXBFJMAFTURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-4-6-8-21(9-7-5-2)11-13-18-14(16)12-10-17-20(3)15(12)19-13/h10H,4-9,11H2,1-3H3.
What are the key properties of N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine?
N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine has a molecular weight of 309.85 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine is sourced from PubChem (CID 63220644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).