N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide

C22H35N7O — CID 69286030

IUPACN-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC1CCC(NC(=O)CNc2ncnc3cnc(C(C)(C)C)nc23)CC1
InChIInChI=1S/C22H35N7O/c1-21(2,3)20-24-11-16-18(28-20)19(26-13-25-16)23-12-17(30)27-14-7-9-15(10-8-14)29-22(4,5)6/h11,13-15,29H,7-10,12H2,1-6H3,(H,27,30)(H,23,25,26)
InChIKeySOUNQCOJBLCFLL-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.94
Rot. Bonds5

About N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide

N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 69286030) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide
PubChem CID69286030
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC NameN-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC1CCC(NC(=O)CNc2ncnc3cnc(C(C)(C)C)nc23)CC1
InChIInChI=1S/C22H35N7O/c1-21(2,3)20-24-11-16-18(28-20)19(26-13-25-16)23-12-17(30)27-14-7-9-15(10-8-14)29-22(4,5)6/h11,13-15,29H,7-10,12H2,1-6H3,(H,27,30)(H,23,25,26)
InChIKeySOUNQCOJBLCFLL-UHFFFAOYSA-N
XLogP2.94
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide (CID 69286030) is N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide is CC(C)(C)NC1CCC(NC(=O)CNc2ncnc3cnc(C(C)(C)C)nc23)CC1.
What is the InChIKey of N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is SOUNQCOJBLCFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-21(2,3)20-24-11-16-18(28-20)19(26-13-25-16)23-12-17(30)27-14-7-9-15(10-8-14)29-22(4,5)6/h11,13-15,29H,7-10,12H2,1-6H3,(H,27,30)(H,23,25,26).
What are the key properties of N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide?
N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 413.57 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)cyclohexyl]-2-[(6-tert-butylpyrimido[5,4-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 69286030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).