6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine

C36H48N8 — CID 46871793

IUPAC6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C2C(c3ccccc3)C(c3cc(NCCC)nc(NCCC)n3)C2c2ccccc2)nc(NCCC)n1
InChIInChI=1S/C36H48N8/c1-5-19-37-29-23-27(41-35(43-29)39-21-7-3)33-31(25-15-11-9-12-16-25)34(32(33)26-17-13-10-14-18-26)28-24-30(38-20-6-2)44-36(42-28)40-22-8-4/h9-18,23-24,31-34H,5-8,19-22H2,1-4H3,(H2,37,39,41,43)(H2,38,40,42,44)
InChIKeyVWYBAMNVYPYHTI-UHFFFAOYSA-N
MW592.84 g/mol
LogP8.00
Rot. Bonds16

About 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine

6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 46871793) has the molecular formula C36H48N8 and a molecular weight of 592.84 g/mol. Its IUPAC name is 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID46871793
Molecular FormulaC36H48N8
Molecular Weight592.84 g/mol
Exact Mass592.40
IUPAC Name6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C2C(c3ccccc3)C(c3cc(NCCC)nc(NCCC)n3)C2c2ccccc2)nc(NCCC)n1
InChIInChI=1S/C36H48N8/c1-5-19-37-29-23-27(41-35(43-29)39-21-7-3)33-31(25-15-11-9-12-16-25)34(32(33)26-17-13-10-14-18-26)28-24-30(38-20-6-2)44-36(42-28)40-22-8-4/h9-18,23-24,31-34H,5-8,19-22H2,1-4H3,(H2,37,39,41,43)(H2,38,40,42,44)
InChIKeyVWYBAMNVYPYHTI-UHFFFAOYSA-N
XLogP8.00
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.84
LogP ≤ 58.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine (CID 46871793) is 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine is CCCNc1cc(C2C(c3ccccc3)C(c3cc(NCCC)nc(NCCC)n3)C2c2ccccc2)nc(NCCC)n1.
What is the InChIKey of 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is VWYBAMNVYPYHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N8/c1-5-19-37-29-23-27(41-35(43-29)39-21-7-3)33-31(25-15-11-9-12-16-25)34(32(33)26-17-13-10-14-18-26)28-24-30(38-20-6-2)44-36(42-28)40-22-8-4/h9-18,23-24,31-34H,5-8,19-22H2,1-4H3,(H2,37,39,41,43)(H2,38,40,42,44).
What are the key properties of 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine?
6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 592.84 g/mol, XLogP of 8.00, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 46871793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).