N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine

C18H29N5O — CID 75471330

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCc1cc2ncc(C(C)NCC(C)N3CCOCC3C)c(C)n2n1
InChIInChI=1S/C18H29N5O/c1-12-8-18-20-10-17(16(5)23(18)21-12)15(4)19-9-13(2)22-6-7-24-11-14(22)3/h8,10,13-15,19H,6-7,9,11H2,1-5H3
InChIKeyBZUMMPNIBVQJET-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.11
Rot. Bonds5

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine (PubChem CID 75471330) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine
PubChem CID75471330
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCc1cc2ncc(C(C)NCC(C)N3CCOCC3C)c(C)n2n1
InChIInChI=1S/C18H29N5O/c1-12-8-18-20-10-17(16(5)23(18)21-12)15(4)19-9-13(2)22-6-7-24-11-14(22)3/h8,10,13-15,19H,6-7,9,11H2,1-5H3
InChIKeyBZUMMPNIBVQJET-UHFFFAOYSA-N
XLogP2.11
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine (CID 75471330) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine is Cc1cc2ncc(C(C)NCC(C)N3CCOCC3C)c(C)n2n1.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine?
The InChIKey is BZUMMPNIBVQJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-12-8-18-20-10-17(16(5)23(18)21-12)15(4)19-9-13(2)22-6-7-24-11-14(22)3/h8,10,13-15,19H,6-7,9,11H2,1-5H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 75471330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).