5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine

C23H26N8O — CID 121357762

IUPAC5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CNCCO4)n3)c2)cn1
InChIInChI=1S/C23H26N8O/c1-30-14-18(9-27-30)16-4-3-5-17(8-16)22-26-13-21(19-10-28-31(2)15-19)23(29-22)25-12-20-11-24-6-7-32-20/h3-5,8-10,13-15,20,24H,6-7,11-12H2,1-2H3,(H,25,26,29)
InChIKeyBITLDNRLVOIKSQ-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.34
Rot. Bonds6

About 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine

5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 121357762) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine
PubChem CID121357762
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CNCCO4)n3)c2)cn1
InChIInChI=1S/C23H26N8O/c1-30-14-18(9-27-30)16-4-3-5-17(8-16)22-26-13-21(19-10-28-31(2)15-19)23(29-22)25-12-20-11-24-6-7-32-20/h3-5,8-10,13-15,20,24H,6-7,11-12H2,1-2H3,(H,25,26,29)
InChIKeyBITLDNRLVOIKSQ-UHFFFAOYSA-N
XLogP2.34
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine (CID 121357762) is 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CNCCO4)n3)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is BITLDNRLVOIKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-30-14-18(9-27-30)16-4-3-5-17(8-16)22-26-13-21(19-10-28-31(2)15-19)23(29-22)25-12-20-11-24-6-7-32-20/h3-5,8-10,13-15,20,24H,6-7,11-12H2,1-2H3,(H,25,26,29).
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine?
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 430.52 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 121357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).