N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C22H31N5O — CID 59021465

IUPACN-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(Nc2nc(CN3CCOCC3)nc3c2CCNC3)cc1
InChIInChI=1S/C22H31N5O/c1-22(2,3)16-4-6-17(7-5-16)24-21-18-8-9-23-14-19(18)25-20(26-21)15-27-10-12-28-13-11-27/h4-7,23H,8-15H2,1-3H3,(H,24,25,26)
InChIKeyMMEMFPMXFTULMW-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.00
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 59021465) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID59021465
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(Nc2nc(CN3CCOCC3)nc3c2CCNC3)cc1
InChIInChI=1S/C22H31N5O/c1-22(2,3)16-4-6-17(7-5-16)24-21-18-8-9-23-14-19(18)25-20(26-21)15-27-10-12-28-13-11-27/h4-7,23H,8-15H2,1-3H3,(H,24,25,26)
InChIKeyMMEMFPMXFTULMW-UHFFFAOYSA-N
XLogP3.00
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 59021465) is N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CC(C)(C)c1ccc(Nc2nc(CN3CCOCC3)nc3c2CCNC3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is MMEMFPMXFTULMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-22(2,3)16-4-6-17(7-5-16)24-21-18-8-9-23-14-19(18)25-20(26-21)15-27-10-12-28-13-11-27/h4-7,23H,8-15H2,1-3H3,(H,24,25,26).
What are the key properties of N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 381.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59021465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).