N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine

C14H20N4O — CID 129034013

IUPACN-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1c(OC)nn2cccnc12)C(C)(C)C
InChIInChI=1S/C14H20N4O/c1-10(14(2,3)4)16-9-11-12-15-7-6-8-18(12)17-13(11)19-5/h6-8,16H,1,9H2,2-5H3
InChIKeyAXKLGOQLQUECSU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.39
Rot. Bonds4

About N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine

N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine (PubChem CID 129034013) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine
PubChem CID129034013
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1c(OC)nn2cccnc12)C(C)(C)C
InChIInChI=1S/C14H20N4O/c1-10(14(2,3)4)16-9-11-12-15-7-6-8-18(12)17-13(11)19-5/h6-8,16H,1,9H2,2-5H3
InChIKeyAXKLGOQLQUECSU-UHFFFAOYSA-N
XLogP2.39
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine (CID 129034013) is N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine is C=C(NCc1c(OC)nn2cccnc12)C(C)(C)C.
What is the InChIKey of N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The InChIKey is AXKLGOQLQUECSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(14(2,3)4)16-9-11-12-15-7-6-8-18(12)17-13(11)19-5/h6-8,16H,1,9H2,2-5H3.
What are the key properties of N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 129034013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).