N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

C23H29N5O — CID 15653017

IUPACN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)N(CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)C(C)C
InChIInChI=1S/C23H29N5O/c1-17(2)28(18(3)4)14-15-29-21-9-7-20(8-10-21)26-23-25-13-11-22(27-23)19-6-5-12-24-16-19/h5-13,16-18H,14-15H2,1-4H3,(H,25,26,27)
InChIKeyLNFBYWXSQWFLBS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.78
Rot. Bonds9

About N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 15653017) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID15653017
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)N(CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)C(C)C
InChIInChI=1S/C23H29N5O/c1-17(2)28(18(3)4)14-15-29-21-9-7-20(8-10-21)26-23-25-13-11-22(27-23)19-6-5-12-24-16-19/h5-13,16-18H,14-15H2,1-4H3,(H,25,26,27)
InChIKeyLNFBYWXSQWFLBS-UHFFFAOYSA-N
XLogP4.78
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 15653017) is N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is CC(C)N(CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)C(C)C.
What is the InChIKey of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is LNFBYWXSQWFLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17(2)28(18(3)4)14-15-29-21-9-7-20(8-10-21)26-23-25-13-11-22(27-23)19-6-5-12-24-16-19/h5-13,16-18H,14-15H2,1-4H3,(H,25,26,27).
What are the key properties of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 391.52 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 15653017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).